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Losartan Carboxaldehyde-d3

CAT: 0572-TRC-L470507-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L470507-10MGSize:10 mg
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CAS Number
1184999-26-5
Synonyms
2-(Butyl-d3)-4-chloro-1-[[2’-(1H-tetrazol-5-yl)[1,1’-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxaldehyde; EXP 3179; DUP 167
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])CCCc1nc(Cl)c(C=O)n1Cc2ccc(cc2)c3ccccc3c4nnn[nH]4
Molecular Formula
C22 D3 H18 Cl N6 O
Molecular Weight
423.91
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)/i1D3
Additionnal Information
IUPAC name: 5-chloro-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazole-4-carbaldehyde
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Losartan Carboxaldehyde-d3
CAS Number1184999-26-5
PubChem CID45038506
IUPAC Name5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(4,4,4-trideuteriobutyl)imidazole-4-carbaldehyde
Molecular FormulaC22H21ClN6O
Molecular Weight423.9
XLogP4.9
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity546
SMILES
[2H]C([2H])([2H])CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl
InChI
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)/i1D3
InChIKey
FQZSMTSTFMNWQF-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Losartan Carboxaldehyde-d3
CAS: 1184999-26-5
CID: 45038506
Formula: C22H21ClN6O
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight423.9
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass423.1653672
Monoisotopic Mass423.1653672
Topological Polar Surface Area89.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity546
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes