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141675-59-4 molecular structure
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1-[4-chloro-5-(hydroxymethyl)-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-2-yl]butan-1-ol

ChemBase ID: 170786
Molecular Formular: C22H23ClN6O2
Molecular Mass: 438.91002
Monoisotopic Mass: 438.15710169
SMILES and InChIs

SMILES:
c1(c(cccc1)c1ccc(cc1)Cn1c(nc(c1CO)Cl)C(CCC)O)c1nn[nH]n1
Canonical SMILES:
CCCC(c1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl)O
InChI:
InChI=1S/C22H23ClN6O2/c1-2-5-19(31)22-24-20(23)18(13-30)29(22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-25-27-28-26-21/h3-4,6-11,19,30-31H,2,5,12-13H2,1H3,(H,25,26,27,28)
InChIKey:
MGRMJQDIUBITKP-UHFFFAOYSA-N

Cite this record

CBID:170786 http://www.chembase.cn/molecule-170786.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-chloro-5-(hydroxymethyl)-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazol-2-yl]butan-1-ol
IUPAC Traditional name
1-[4-chloro-5-(hydroxymethyl)-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)imidazol-2-yl]butan-1-ol
Synonyms
ω-3-Hydroxy Losartan
4-Chloro-α2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-2,5-dimethanol
CAS Number
141675-59-4
PubChem SID
164226696
PubChem CID
9911047

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H946605 external link Add to cart
PubChem 9911047 external link
Data Source Data ID Price
TRC
H946605 external link Add to cart Please log in.
Data Source Data ID
PubChem 9911047 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.3997307  H Acceptors
H Donor LogD (pH = 5.5) 4.2251616 
LogD (pH = 7.4) 3.9418359  Log P 4.230954 
Molar Refractivity 133.3418 cm3 Polarizability 47.158077 Å3
Polar Surface Area 112.74 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H946605 external link
A metabolite of Losartan (L470500).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Honig, P., et al.: Clin. Pharmacol. Ther., 1992, 52, 231(1992)
  • • Okuda, H., et al.: Xenobiotic Metab. Dispos., 1995, 10, S166 (1992)
  • • Ueng, Y., et al.: Biochemistry, 36, 370 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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