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Olmesartan-d6 Acid

CAT: 1596-AR-O08878-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-O08878-01Size:10 Units
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CAS Number
1185144-74-4
Synonyms
4-[1-hydroxy-1- (methyl-d3) ethyl-2,2,2-d3]-2-propyl-1-[[2′- (2H-tetrazol-5-yl) [1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid
Molecular Formula
C24H20D6N6O3
Molecular Weight
452.5
API Name
Olmesartan

Chemical Information

Olmesartan-d6 Acid
CAS Number1185144-74-4
PubChem CID45040153
IUPAC Name5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Molecular FormulaC24H26N6O3
Molecular Weight452.5
XLogP3.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity656
SMILES
[2H]C([2H])([2H])C(C1=C(N(C(=N1)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)(C([2H])([2H])[2H])O
InChI
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)/i2D3,3D3
InChIKey
VTRAEEWXHOVJFV-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Olmesartan-d6 Acid
CAS: 1185144-74-4
CID: 45040153
Formula: C24H26N6O3
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass452.24429919
Monoisotopic Mass452.24429919
Topological Polar Surface Area130 Ų
Heavy Atom Count33
Formal Charge0
Complexity656
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes