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Candesartan-d5

CAT: 0572-TRC-C175577-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C175577-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189650-58-5
Synonyms
2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid-d5
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nnn[nH]5
Molecular Formula
C24 2H5 H15 N6 O3
Molecular Weight
445.48
InChI
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)/i1D3,2D2
Additionnal Information
IUPAC name: 2-(1,1,2,2,2-pentadeuterioethoxy)-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Candesartan-d5
CAS Number1189650-58-5
PubChem CID45038537
IUPAC Name2-(1,1,2,2,2-pentadeuterioethoxy)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular FormulaC24H20N6O3
Molecular Weight445.5
XLogP4.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity660
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O
InChI
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)/i1D3,2D2
InChIKey
HTQMVQVXFRQIKW-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Candesartan-d5
CAS: 1189650-58-5
CID: 45038537
Formula: C24H20N6O3
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass445.19107225
Monoisotopic Mass445.19107225
Topological Polar Surface Area119 Ų
Heavy Atom Count33
Formal Charge0
Complexity660
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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