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144702-27-2 molecular structure
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2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}phenyl)benzonitrile

ChemBase ID: 166210
Molecular Formular: C33H29N5
Molecular Mass: 495.61686
Monoisotopic Mass: 495.24229595
SMILES and InChIs

SMILES:
c1cccc2c1nc(n2C)c1cc2c(c(c1)C)nc(n2Cc1ccc(cc1)c1ccccc1C#N)CCC
Canonical SMILES:
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)cc(cc2C)c1nc2c(n1C)cccc2
InChI:
InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3
InChIKey:
XIEVZYAEXURSHX-UHFFFAOYSA-N

Cite this record

CBID:166210 http://www.chembase.cn/molecule-166210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}phenyl)benzonitrile
IUPAC Traditional name
2-(4-{[4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-1,3-benzodiazol-1-yl]methyl}phenyl)benzonitrile
Synonyms
4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile
Telmisartan Impurity G
2-Descarboxy-2-cyano Telmisartan
CAS Number
144702-27-2
PubChem SID
162260343
PubChem CID
11961510

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D289075 external link Add to cart
PubChem 11961510 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 11961510 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.315143  LogD (pH = 7.4) 8.005539 
Log P 8.02727  Molar Refractivity 162.9542 cm3
Polarizability 62.630726 Å3 Polar Surface Area 59.43 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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 - D289075 external link
2-Descarboxy-2-cyano Telmisartan is an impurity of the angiotensin II receptor antagonist, Telmisartan (T017000).

REFERENCES

REFERENCES

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  • • Reddy, M.R. et al.: Int. J. Pharm. Pharmac. Sci., 4, 497 (2012)
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PATENTS

PATENTS

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INTERNET

INTERNET

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