200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1132681-38-9
1132681-38-9 | Rivaroxaban-d4
CAS No: 1132681-38-9 Catalog No: AG008X46 MDL No:
Product Description
Catalog Number:
AG008X46
Chemical Name:
Rivaroxaban-d4
CAS Number:
1132681-38-9
Molecular Formula:
C19H14ClD4N3O5S
Molecular Weight:
439.9060
IUPAC Name:
5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
InChI:
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1/i1D,2D,3D,4D
InChI Key:
KGFYHTZWPPHNLQ-UJCPGTITSA-N
SMILES:
O=C1O[C@H](CN1c1c([2H])c([2H])c(c(c1[2H])[2H])N1CCOCC1=O)CNC(=O)c1ccc(s1)Cl
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.091g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
439.903g/mol
Monoisotopic Mass:
439.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.