Home Other Building Blocks CANDESARTAN-D4

CANDESARTAN-D4

CAS No.:
1346604-70-3
Catalog Number:
AG009CH9
Molecular Formula:
C24H16D4N6O3
Molecular Weight:
444.4786
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$357
- +
5mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>4</sub>)
1 week
United States
$821
- +
Product Description
Catalog Number:
AG009CH9
Chemical Name:
CANDESARTAN-D4
CAS Number:
1346604-70-3
Molecular Formula:
C24H16D4N6O3
Molecular Weight:
444.4786
MDL Number:
MFCD08063415
IUPAC Name:
2-ethoxy-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
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)/i10D,11D,12D,13D
InChI Key:
HTQMVQVXFRQIKW-ZGAVCIBUSA-N
SMILES:
CCOc1nc2c(n1Cc1c([2H])c([2H])c(c(c1[2H])[2H])c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O
Properties
Complexity:
660  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.185g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
4  
Molecular Weight:
444.487g/mol
Monoisotopic Mass:
444.185g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties