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Showing NP-Card for Potassium iodide (NP0336516)

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Record Information
Version2.0
Created at2024-09-11 06:38:22 UTC
Updated at2024-09-11 06:38:22 UTC
NP-MRD IDNP0336516
Secondary Accession NumbersNone
Natural Product Identification
Common NamePotassium iodide
Description Potassium iodide was first documented in 2000 (PMID: 11004629).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0336516 (Potassium iodide)


  Mrv0541 02241212492D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0336516 (Potassium iodide)

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3D SDF for NP0336516 (Potassium iodide)

  Mrv0541 02241212492D          

  2  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0336516

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[K+].[I-]

> <INCHI_IDENTIFIER>
InChI=1S/HI.K/h1H;/q;+1/p-1

> <INCHI_KEY>
NLKNQRATVPKPDG-UHFFFAOYSA-M

> <FORMULA>
IK

> <MOLECULAR_WEIGHT>
166.0028

> <EXACT_MASS>
165.868175281

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium iodide

> <JCHEM_LOGP>
0.2

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium iodide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0336516 (Potassium iodide)
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PDB for NP0336516 (Potassium iodide)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  K   UNK     0       0.000   0.000   0.000  0.00  0.00           K+1
HETATM    2  I   UNK     0       1.650   0.000   0.000  0.00  0.00           I-1
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0336516 (Potassium iodide)
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SMILES for NP0336516 (Potassium iodide)
[K+].[I-]
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INCHI for NP0336516 (Potassium iodide)
InChI=1S/HI.K/h1H;/q;+1/p-1
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Synonyms
ValueSource
KaliumiodidChEBI
KIChEBI
ThyroblockKegg
AntistruminMeSH
Iodide, potassiumMeSH
IosatMeSH
Jodid hexalMeSH
Jodid verlaMeSH
mono-JodMeSH
thyro BlockMeSH
ThyroprotectMeSH
Ratiopharm brand OF potassium iodideMeSH
Henning berlin brand OF potassium iodideMeSH
Hexal brand OF potassium iodideMeSH
ioduro potasico RoviMeSH
JodgammaMeSH
Jodid ratiopharmMeSH
Jodid-ratiopharmMeSH
Philopharm brand OF potassium iodideMeSH
SSKIMeSH
Wörwag brand OF potassium iodideMeSH
Jod betaMeSH
Jodetten henningMeSH
Jodid duraMeSH
Upsher-smith brand OF potassium iodideMeSH
Verla brand OF potassium iodideMeSH
Wallace brand OF potassium iodideMeSH
Anbex brand OF potassium iodideMeSH
Fleming brand OF potassium iodideMeSH
JodidMeSH
Merck brand OF potassium iodideMeSH
Merck dura brand OF potassium iodideMeSH
mono JodMeSH
PimaMeSH
Rovi brand OF potassium iodideMeSH
thyro-BlockMeSH
Betapharm brand OF potassium iodideMeSH
Chemical FormulaIK
Average Mass166.0028 Da
Monoisotopic Mass165.86818 Da
IUPAC Namepotassium iodide
Traditional Namepotassium iodide
CAS Registry NumberNot Available
SMILES
[K+].[I-]
InChI Identifier
InChI=1S/HI.K/h1H;/q;+1/p-1
InChI KeyNLKNQRATVPKPDG-UHFFFAOYSA-M
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkali metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is an alkali metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkali metal salts  
Sub ClassAlkali metal iodides  
Direct ParentAlkali metal iodides  
Alternative Parents
Substituents
  • Alkali metal iodide
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.2ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB06715  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015438  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC08219  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPotassium_Iodide  
METLIN IDNot Available
PubChem Compound4875  
PDB IDNot Available
ChEBI ID8346  
Good Scents IDNot Available
References
General References
  1. Shionoya H, Sugihara Y, Okano K, Sagami F, Mikami T, Katayama K: Studies on experimental iodine allergy: 1. Antigen recognition of guinea pig anti-iodine antibody. J Toxicol Sci. 2004 May;29(2):131-6. doi: 10.2131/jts.29.131. [PubMed:15206581  ] 
  2. Sterling JB, Heymann WR: Potassium iodide in dermatology: a 19th century drug for the 21st century-uses, pharmacology, adverse effects, and contraindications. J Am Acad Dermatol. 2000 Oct;43(4):691-7. doi: 10.1067/mjd.2000.107247. [PubMed:11004629  ] 
  3. Reiners C, Schneider R: Potassium iodide (KI) to block the thyroid from exposure to I-131: current questions and answers to be discussed. Radiat Environ Biophys. 2013 May;52(2):189-93. doi: 10.1007/s00411-013-0462-0.  Epub 2013 Mar 9. [PubMed:23475155  ] 
  4. Costa RO, Macedo PM, Carvalhal A, Bernardes-Engemann AR: Use of potassium iodide in dermatology: updates on an old drug. An Bras Dermatol. 2013 May-Jun;88(3):396-402. doi: 10.1590/abd1806-4841.20132377. [PubMed:23793210  ] 
  5. Chen WX, Zhu HL, Xue M, Zhou H, Zhao F, Yan N, Chen Y: Quick staining technique for myeloperoxidase using potassium iodide and oxidized pyronine B. Acta Histochem. 2014 Jan;116(1):292-6. doi: 10.1016/j.acthis.2013.08.001. Epub  2013 Sep 14. [PubMed:24044784  ]