Home > Compound List > Compound details
1185256-03-4 molecular structure
click picture or here to close

1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 1-({4-[2-(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-hydroxy-1H-1,3-benzodiazole-7-carboxylate

ChemBase ID: 166138
Molecular Formular: C33H34N6O6
Molecular Mass: 610.65966
Monoisotopic Mass: 610.25398284
SMILES and InChIs

SMILES:
c1ccc(c2c1nc(n2Cc1ccc(cc1)c1ccccc1c1nnn(n1)CC)O)C(=O)OC(OC(=O)OC1CCCCC1)C
Canonical SMILES:
CCn1nnc(n1)c1ccccc1c1ccc(cc1)Cn1c(O)nc2c1c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
InChI:
InChI=1S/C33H34N6O6/c1-3-39-36-30(35-37-39)26-13-8-7-12-25(26)23-18-16-22(17-19-23)20-38-29-27(14-9-15-28(29)34-32(38)41)31(40)43-21(2)44-33(42)45-24-10-5-4-6-11-24/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,34,41)
InChIKey:
KORFUGQWQJEFIY-UHFFFAOYSA-N

Cite this record

CBID:166138 http://www.chembase.cn/molecule-166138.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 1-({4-[2-(2-ethyl-2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-hydroxy-1H-1,3-benzodiazole-7-carboxylate
IUPAC Traditional name
1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 3-({4-[2-(2-ethyl-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-2-hydroxy-1,3-benzodiazole-4-carboxylate
Synonyms
2-Hydroxy-1-[[2'-(2-ethyl-2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-Benzimidazole-7-carboxylic Acid 1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl Ester
Candesartan Cilexetil Impurity D
(RS)-1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl-3-[[2’-(2-ethyl-2H-tetrazol-5-yl)-4-biphenylyl]methyl]-2-oxo-2,3-dihydro-1H-benzimidazole-4-carboxylate
2-Desethoxy-2-hydroxy-2H-2-ethyl Candesartan Cilexetil
CAS Number
1185256-03-4
PubChem SID
162260271
PubChem CID
71315580

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D288755 external link Add to cart
PubChem 71315580 external link
Data Source Data ID Price
TRC
D288755 external link Add to cart Please log in.
Data Source Data ID
PubChem 71315580 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.804779  H Acceptors
H Donor LogD (pH = 5.5) 8.317533 
LogD (pH = 7.4) 8.317611  Log P 8.317629 
Molar Refractivity 188.1537 cm3 Polarizability 66.37799 Å3
Polar Surface Area 143.48 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
White Solid expand Show data source
Melting Point
169-171°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D288755 external link
Candesartan Cilexetil Impurity D (PHARMEUROPA).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gohlke, P., et al.: Drugs Today, 35, 105 (1999)
  • • Michihiro, Y., et al.: Clin. Pharmacol., 93, 175 (1999)
  • • Rao, D., et al.: Chromatographia, 66, 499 (1999)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle