NP-MRD: Showing NP-Card for Clopidogrel Related Compound C (NP0141327)

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Record Information

Version

2.0

Created at

2022-06-29 22:44:49 UTC

Updated at

2022-06-29 22:44:49 UTC

NP-MRD ID

NP0141327

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Clopidogrel Related Compound C

Description

135046-48-9 Belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. Clopidogrel Related Compound C was first documented in 2009 (PMID: 19634510). Based on a literature review very few articles have been published on 135046-48-9 (PMID: 21827046).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306302200442D          

 26 27  0  0  0  0            999 V2000
    2.6869   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -1.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    0.7661    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -0.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846   -0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846   -1.5514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END

     RDKit          3D

 44 45  0  0  0  0  0  0  0  0999 V2000
   -3.0138    3.3341   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1074    2.3406    0.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2659    1.6477   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    1.9361   -1.9098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580    0.6196   -0.1316 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0651   -0.4289    0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6008   -0.8626    1.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152   -1.8433    2.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4660   -2.3983    1.9798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087   -1.9412    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2077   -0.9605    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350   -0.4299   -1.4893 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    0.0617   -1.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    1.0311   -1.9098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    0.6491   -2.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    0.0787   -0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4417    0.2030    0.3631 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -0.9340    1.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7426   -1.3793    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296   -0.8588   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0736   -1.1441   -0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0512    0.7732    1.3772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0033    0.2038    0.0041 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.3128    1.2780   -1.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4182   -0.5285   -0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402   -0.9287   -0.0429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4713    4.1331   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798    2.8445   -0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5077    3.6940    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124    1.0581    0.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134   -0.4414    2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9872   -2.2181    3.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0242   -3.1753    2.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168   -2.3824    0.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    1.2039   -2.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    2.0239   -1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308   -0.1517   -2.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    1.5327   -2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4438   -1.2283    2.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747   -2.1434    1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -1.5797   -1.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4483   -1.8906   -0.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752   -0.3843    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -0.4134    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 23  1  0
 23 26  1  0
 23 22  2  0
 23 24  2  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 20  2  0
 20 21  1  0
 20 19  1  0
 19 18  2  0
 18 17  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 21 13  1  0
 11  6  1  0
 17 16  1  0
 25 43  1  0
 26 44  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  5 30  1  1
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 21 41  1  0
 21 42  1  0
 19 40  1  0
 18 39  1  0
  7 31  1  0
  8 32  1  0
  9 33  1  0
 10 34  1  0
M  END


  Mrv1652306302200442D          

 26 27  0  0  0  0            999 V2000
    2.6869   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724   -0.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579   -1.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    0.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    2.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    1.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9724    0.7661    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -0.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -1.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846   -0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846   -1.5514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2226   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0141327

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OS(O)(=O)=O.COC(=O)C(N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl

> <INCHI_IDENTIFIER>
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)

> <INCHI_KEY>
FDEODCTUSIWGLK-UHFFFAOYSA-N

> <FORMULA>
C16H18ClNO6S2

> <MOLECULAR_WEIGHT>
419.89

> <EXACT_MASS>
419.0264074

$$$$

HEADER    PROTEIN                                 30-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUN-22         0                                  
HETATM    1  C   UNK     0       5.015  -0.880   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.682  -0.110   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.348  -0.880   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.348  -2.420   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.014  -0.110   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.014   1.430   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.319   2.200   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.319   3.740   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.014   4.510   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.348   3.740   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.348   2.200   0.000  0.00  0.00           C+0
HETATM   12 Cl   UNK     0       3.682   1.430   0.000  0.00  0.00          Cl+0
HETATM   13  N   UNK     0      -0.319  -0.880   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.319  -2.420   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.653  -3.190   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.987  -2.420   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.987  -0.880   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.653  -0.110   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.451  -0.404   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.356  -1.650   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0      -4.451  -2.896   0.000  0.00  0.00           S+0
HETATM   22  O   UNK     0      10.075  -1.540   0.000  0.00  0.00           O+0
HETATM   23  S   UNK     0      10.075   0.000   0.000  0.00  0.00           S+0
HETATM   24  O   UNK     0      10.075   1.540   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      11.615  -0.000   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.535   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   13                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11                                                            
CONECT   13    5   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   13                                                       
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   23                                                            
CONECT   23   22   24   25   26                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₈ClNO₆S₂

Average Mass

419.8900 Da

Monoisotopic Mass

419.02641 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OS(O)(=O)=O.COC(=O)C(N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl

InChI Identifier

InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)

InChI Key

FDEODCTUSIWGLK-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid esters

Alternative Parents

Substituents

Alpha-amino acid ester
Thienopyridine
Sulfuric acid
Halobenzene
Aralkylamine
Chlorobenzene
Pyridine
Benzenoid
Aryl chloride
Monocyclic benzene moiety
Aryl halide
Organic sulfuric acid or derivatives
Methyl ester
Thiophene
Heteroaromatic compound
Tertiary amine
Tertiary aliphatic amine
Carboxylic acid ester
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organohalogen compound
Amine
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organochloride
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10646039

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16757820

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zou QG, Tan XH, Che WJ, Zhang ZJ, Wei P, Ou-Yang PK: Study on bioavailability difference between clopidogrel bisulfate form I and form II using liquid chromatography/tandem mass spectrometry. Arzneimittelforschung. 2011;61(6):353-7. doi: 10.1055/s-0031-1296210. [PubMed:21827046 ]
Pawlowska M, Duda J, Tejchman-Malecka B, Bogiel M, Marzec A, Sieradzki E: Usefulness of the parent compound determination in bioequivalence evaluation of clopidogrel generic products. Arzneimittelforschung. 2009;59(6):289-96. doi: 10.1055/s-0031-1296399. [PubMed:19634510 ]

Showing NP-Card for Clopidogrel Related Compound C (NP0141327)

MOL for NP0141327 (Clopidogrel Related Compound C)

3D MOL for NP0141327 (Clopidogrel Related Compound C)

3D SDF for NP0141327 (Clopidogrel Related Compound C)

3D-SDF for NP0141327 (Clopidogrel Related Compound C)

PDB for NP0141327 (Clopidogrel Related Compound C)

3D PDB for NP0141327 (Clopidogrel Related Compound C)

SMILES for NP0141327 (Clopidogrel Related Compound C)

INCHI for NP0141327 (Clopidogrel Related Compound C)

Structure for NP0141327 (Clopidogrel Related Compound C)

3D Structure for NP0141327 (Clopidogrel Related Compound C)