NP-MRD: Showing NP-Card for tegaserod (NP0239479)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-06 23:05:19 UTC

Updated at

2022-09-06 23:05:19 UTC

NP-MRD ID

NP0239479

Secondary Accession Numbers

None

Natural Product Identification

Common Name

tegaserod

Description

Tegaserod belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Tegaserod is a very strong basic compound (based on its pKa). Additionally, tegaserod is a 5-HT2B receptor antagonist. Tegaserod is a 5-HT4 agonist manufactured by Novartis and sold under the names Zelnorm and Zelmac for the management of irritable bowel syndrome and constipation. It also stimulates gastrointestinal motility and the peristaltic reflex, and allegedly reduces abdominal pain. Its use was also approved to treat chronic idiopathic constipation. Novartis alleges all of the affected patients had preexisting cardiovascular disease or risk factors for such, and further alleges that no causal relationship between tegaserod use and cardiovascular events has been demonstrated. The drug functions as a motility stimulant, achieving its desired therapeutic effects through activation of the 5-HT4 receptors of the enteric nervous system in the gastrointestinal tract. In 2019, tegaserod was reintroduced as for use in irritable bowel syndrome with constipation (IBS-C) in women under 65. Before then, it was the only drug approved by the United States Food and Drug Administration to help relieve the abdominal discomfort, bloating, and constipation associated with irritable bowel syndrome. On the same day as the FDA announcement, Novartis Pharmaceuticals Canada announced that it was suspending marketing and sales of the drug in Canada in response to a request from Health Canada. tegaserod is found in Geodia barretti. Currently, tegaserod may only be used in emergency situations only with prior authorization from the FDA.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    0.7576    2.7248   -1.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436    2.7286   -1.3955 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9431   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    1.9658    0.0143 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412    0.9918    0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9350   -0.3522    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064   -0.2953   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2059    0.0578   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7551   -0.9743    0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    1.1156    0.2265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0245    0.7812   -0.5253 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661    0.4684   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360    0.1445   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1776    0.1314   -2.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868   -0.2216   -2.8602 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2373   -0.4402   -1.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5636   -0.8141   -1.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1643   -0.9579   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4743   -0.7367    0.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1061   -0.8898    1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4626   -1.2744    1.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1515   -0.3640    0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225   -0.2123   -0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    2.6668   -0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9518    1.2560    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    0.9658    1.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656   -1.1688    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713   -0.5886    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3446    0.4246   -1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7927   -1.2861   -1.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2828    1.0945   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8292    0.0137   -1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7755   -1.2915    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8260   -0.4934    1.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209   -1.8655    0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2841    0.8089    1.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224    0.4477    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2871    0.3712   -2.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6822   -0.3280   -3.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0965   -0.9851   -2.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2082   -1.2532   -0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6184   -2.3343    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130   -1.1316    2.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0982   -0.6639    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668   -0.1793    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  3 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 23  2  0
 23 22  1  0
 22 19  2  0
 19 20  1  0
 20 21  1  0
 19 18  1  0
 18 17  2  0
 23 13  1  0
 17 16  1  0
  9 33  1  0
  9 34  1  0
  9 35  1  0
  8 31  1  0
  8 32  1  0
  7 29  1  0
  7 30  1  0
  6 27  1  0
  6 28  1  0
  5 25  1  0
  5 26  1  0
  4 24  1  0
  2  1  1  0
 10 36  1  0
 12 37  1  0
 14 38  1  0
 15 39  1  0
 22 45  1  0
 21 42  1  0
 21 43  1  0
 21 44  1  0
 18 41  1  0
 17 40  1  0
M  END


  Mrv1572003301621172D          

 22 23  0  0  0  0            999 V2000
   -3.1915    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452    0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6126    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5264   -0.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727   -0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1053   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5178   -1.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928   -1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7234   -0.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -1.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3415   -0.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0873   -0.6504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9452   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6597   -1.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3728   -1.8879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452    1.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6597    1.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10  7  1  0  0  0  0
 13 20  2  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0239479

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+

> <INCHI_KEY>
IKBKZGMPCYNSLU-RGVLZGJSSA-N

> <FORMULA>
C16H23N5O

> <MOLECULAR_WEIGHT>
301.394

> <EXACT_MASS>
301.190260381

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
34.96184660086094

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N'-[(E)-[(5-methoxy-1H-indol-3-yl)methylidene]amino]-N-pentylguanidine

> <ALOGPS_LOGP>
2.76

> <JCHEM_LOGP>
2.9544107576666665

> <ALOGPS_LOGS>
-4.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
19.91484195141512

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.243261145827702

> <JCHEM_PKA_STRONGEST_BASIC>
8.50075894690013

> <JCHEM_POLAR_SURFACE_AREA>
85.29

> <JCHEM_REFRACTIVITY>
110.24959999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.88e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tegaserod

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-MAR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-MAR-16         0                                  
HETATM    1  C   UNK     0      -5.957   0.588   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.364   1.214   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.610   0.309   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.449  -1.222   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.042  -1.849   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.797  -0.944   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.551  -1.849   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -6.567  -3.314   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -5.027  -3.314   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.217  -1.079   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.971  -1.984   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -0.637  -1.214   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       0.696  -1.984   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       2.030  -1.214   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       3.363  -1.984   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.697  -1.214   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.031  -1.984   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.364  -1.214   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.698  -1.984   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       0.696  -3.524   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      -7.364   2.754   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -8.698   3.524   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    8    6                                                  
CONECT    6    1    5    7                                                  
CONECT    7    6    9   10                                                  
CONECT    8    5    9                                                       
CONECT    9    7    8                                                       
CONECT   10   11    7                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   13                                                            
CONECT   21    2   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
1-(((5-Methoxyindol-3-yl)methylene)amino)-3-pentylguanidine	ChEBI
Tegaserodum	ChEBI
5-Methoxyindol-3-carboxaldehyde amino(pentylamino)methylenehydrazone hydrogen maleate	MeSH
HTF 919	MeSH
SDZ HTF 919	MeSH
SDZ HTF-919	MeSH
Zelmac	MeSH
Zelnorm	MeSH
Tegaserod maleate	MeSH

Chemical Formula

C₁₆H₂₃N₅O

Average Mass

301.3940 Da

Monoisotopic Mass

301.19026 Da

IUPAC Name

N'-[(E)-[(5-methoxy-1H-indol-3-yl)methylidene]amino]-N-pentylguanidine

Traditional Name

tegaserod

CAS Registry Number

Not Available

SMILES

CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2

InChI Identifier

InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+

InChI Key

IKBKZGMPCYNSLU-RGVLZGJSSA-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

Species Name	Source	Reference
Geodia barretti	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

Indoles

Alternative Parents

Substituents

Indole
Anisole
Alkyl aryl ether
Substituted pyrrole
Benzenoid
Pyrrole
Heteroaromatic compound
Guanidine
Azacycle
Ether
Carboximidamide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Imine
Organic nitrogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

guanidines (CHEBI:51043 )
indoles (CHEBI:51043 )
carboxamidine (CHEBI:51043 )
hydrazines (CHEBI:51043 )

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
logP	2.76	ALOGPS
logP	2.95	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	15.24	ChemAxon
pKa (Strongest Basic)	8.5	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	85.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	110.25 m³·mol⁻¹	ChemAxon
Polarizability	34.96 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

DB01079

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Tegaserod

METLIN ID

Not Available

PubChem Compound

135409453

PDB ID

Not Available

ChEBI ID

51043

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for tegaserod (NP0239479)

MOL for NP0239479 (tegaserod)

3D MOL for NP0239479 (tegaserod)

3D SDF for NP0239479 (tegaserod)

3D-SDF for NP0239479 (tegaserod)

PDB for NP0239479 (tegaserod)

3D PDB for NP0239479 (tegaserod)

SMILES for NP0239479 (tegaserod)

INCHI for NP0239479 (tegaserod)

Structure for NP0239479 (tegaserod)

3D Structure for NP0239479 (tegaserod)