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Olmesartan-d6 Acid

CAT: 0572-TRC-O550002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O550002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185144-74-4
Synonyms
1H-Imidazole-5-carboxylic acid, 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]- (ACI); 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 (ACI); 5-(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; Olmesartan-d6; Olmesartan acid-d6; Olmesartan-d6 Acid (dimethyl-d6); Olmesartan-D6 (1-(methyl-D3)ethyl-2,2,2-D3)
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C(O)(c1nc(CCC)n(Cc2ccc(cc2)c3ccccc3c4nnn[nH]4)c1C(=O)O)C([2H])([2H])[2H]
Molecular Formula
C24 D6 H20 N6 O3
Molecular Weight
452.539
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
Additionnal Information
IUPAC name: 5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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...
View on PubChemRaw 3D data
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

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AR-O01214-01Olmesartan EP Impurity A (Olmesartan Acid)
IH57931-01Trityl olmesartan acid
sc-477960Olmesartan-d4 Acid
461538-01Olmesartan Acid Ethyl Ester
460337-01N2-Trityl Olmesartan Acid
459700-01N-Trityl Ethyl Olmesartan Acid
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