Home Other Building Blocks IRBESARTAN-D4

IRBESARTAN-D4

CAS No.:
1216883-23-6
Catalog Number:
AG009CIL
Molecular Formula:
C25H24D4N6O
Molecular Weight:
432.5541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>4</sub>)
1 week
United States
$503
- +
Product Description
Catalog Number:
AG009CIL
Chemical Name:
IRBESARTAN-D4
CAS Number:
1216883-23-6
Molecular Formula:
C25H24D4N6O
Molecular Weight:
432.5541
MDL Number:
MFCD09265301
IUPAC Name:
2-butyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
InChI:
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)/i11D,12D,13D,14D
InChI Key:
YOSHYTLCDANDAN-WQKXEYJYSA-N
SMILES:
CCCCC1=NC2(C(=O)N1Cc1c([2H])c([2H])c(c(c1[2H])[2H])c1ccccc1c1nnn[nH]1)CCCC2
Properties
Complexity:
682  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.258g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
4  
Molecular Weight:
432.564g/mol
Monoisotopic Mass:
432.258g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties