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Candesartan Cilexetil

CAT: 0607-B2203-SSize: Evaluation SampleDry Ice: NoHazardous: No
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CAT#:0607-B2203-SSize:Evaluation Sample
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Description
Prodrug of the angiotensin II receptor 1 (AT1) antagonist candesartan
CAS Number
145040-37-5
Product Name Alternative
1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Purity
0.9981
Solubility
≥24 mg/mL in DMSO; insoluble in H2O; ≥2.1 mg/mL in EtOH with ultrasonic
Smiles
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
Molecular Formula
C33H34N6O6
Molecular Weight
610.66
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Candesartan Cilexetil

Candesartan cilexetil is a member of biphenyls.

CAS Number145040-37-5
PubChem CID2540
IUPAC Name1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Molecular FormulaC33H34N6O6
Molecular Weight610.7
XLogP7
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity962
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6
InChI
InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
InChIKey
GHOSNRCGJFBJIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Candesartan Cilexetil
CAS: 145040-37-5
CID: 2540
Formula: C33H34N6O6
MW: 610.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.7
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass610.25398283
Monoisotopic Mass610.25398283
Topological Polar Surface Area143 Ų
Heavy Atom Count45
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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