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[2-butyl-4-chloro-1-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol potassium hydride
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ChemBase ID:
312886
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Molecular Formular:
C22H23ClKN6O
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Molecular Mass:
462.00892
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Monoisotopic Mass:
461.12589375
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SMILES and InChIs
SMILES:
c1cc(ccc1c1c(cccc1)c1[nH]nnn1)Cn1c(c(nc1CCCC)Cl)CO.[K]
Canonical SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn[nH]1)CO)Cl.[K]
InChI:
InChI=1S/C22H23ClN6O.K/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22;/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28);
InChIKey:
FDKIDFYIEWFERB-UHFFFAOYSA-N
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Cite this record
CBID:312886 http://www.chembase.cn/molecule-312886.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[2-butyl-4-chloro-1-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-5-yl]methanol potassium hydride
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IUPAC Traditional name
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losartan potassium hydride
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Synonyms
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Cozaar
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Losartan potassium
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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4.288871
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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3.288697
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LogD (pH = 7.4)
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2.8201647
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Log P
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3.9572647
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Molar Refractivity
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131.8496 cm3
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Polarizability
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46.467342 Å3
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Polar Surface Area
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92.51 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Pharmacology Properties
Product Information
Bioassay(PubChem)
Target
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RAAS
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Show
data source
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Salt Data
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Potassium
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent