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165276-40-4 molecular structure
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2-butyl-4-chloro-1-[(4-{2-[2-(1-ethoxyethyl)-2H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-1H-imidazole-5-carbaldehyde

ChemBase ID: 168345
Molecular Formular: C26H29ClN6O2
Molecular Mass: 493.00046
Monoisotopic Mass: 492.20405188
SMILES and InChIs

SMILES:
c1(c(cccc1)c1ccc(cc1)Cn1c(nc(c1C=O)Cl)CCCC)c1nnn(n1)C(OCC)C
Canonical SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(OCC)C)C=O)Cl
InChI:
InChI=1S/C26H29ClN6O2/c1-4-6-11-24-28-25(27)23(17-34)32(24)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-33(30-26)18(3)35-5-2/h7-10,12-15,17-18H,4-6,11,16H2,1-3H3
InChIKey:
SIUCBZKBNAMBCG-UHFFFAOYSA-N

Cite this record

CBID:168345 http://www.chembase.cn/molecule-168345.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-butyl-4-chloro-1-[(4-{2-[2-(1-ethoxyethyl)-2H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-1H-imidazole-5-carbaldehyde
IUPAC Traditional name
2-butyl-5-chloro-3-[(4-{2-[2-(1-ethoxyethyl)-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]imidazole-4-carbaldehyde
Synonyms
2-Butyl-4-chloro-1-[[2'-[1-(1-ethoxyethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxaldehyde
N-1-Ethoxyethyl Losartan Carboxaldehyde
CAS Number
165276-40-4
PubChem SID
162262477
PubChem CID
71316518

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC E892015 external link Add to cart
PubChem 71316518 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 71316518 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.364624  LogD (pH = 7.4) 6.366352 
Log P 6.366374  Molar Refractivity 162.2776 cm3
Polarizability 53.973774 Å3 Polar Surface Area 87.72 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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  • • Yoo, S., et al.: Bioorg. Med. Chem., 3, 289 (1995)
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PATENTS

PATENTS

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INTERNET

INTERNET

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