U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClN3O5S
Molecular Weight 435.881
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIVAROXABAN, (R)-

SMILES

ClC1=CC=C(S1)C(=O)NC[C@@H]2CN(C(=O)O2)C3=CC=C(C=C3)N4CCOCC4=O

InChI

InChIKey=KGFYHTZWPPHNLQ-CQSZACIVSA-N
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-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18ClN3O5S
Molecular Weight 435.881
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:06:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:06:18 GMT 2023
Record UNII
RJP4GEG36M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIVAROXABAN, (R)-
Common Name English
2-THIOPHENECARBOXAMIDE, 5-CHLORO-N-(((5R)-2-OXO-3-(4-(3-OXO-4-MORPHOLINYL)PHENYL)-5-OXAZOLIDINYL)METHYL)-
Systematic Name English
5R-RIVAROXABAN
Common Name English
RIVAROXABAN IMPURITY A [EP IMPURITY]
Common Name English
5-CHLORO-N-(((5R)-2-OXO-3-(4-(3-OXO-4-MORPHOLINYL)PHENYL)-5-OXAZOLIDINYL)METHYL)-2-THIOPHENECARBOXAMIDE
Systematic Name English
RIVAROXABAN R-ISOMER
Common Name English
Code System Code Type Description
FDA UNII
RJP4GEG36M
Created by admin on Sat Dec 16 18:06:18 GMT 2023 , Edited by admin on Sat Dec 16 18:06:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID20468042
Created by admin on Sat Dec 16 18:06:18 GMT 2023 , Edited by admin on Sat Dec 16 18:06:18 GMT 2023
PRIMARY
CAS
865479-71-6
Created by admin on Sat Dec 16 18:06:18 GMT 2023 , Edited by admin on Sat Dec 16 18:06:18 GMT 2023
PRIMARY
RS_ITEM_NUM
1604541
Created by admin on Sat Dec 16 18:06:18 GMT 2023 , Edited by admin on Sat Dec 16 18:06:18 GMT 2023
PRIMARY
PUBCHEM
11524901
Created by admin on Sat Dec 16 18:06:18 GMT 2023 , Edited by admin on Sat Dec 16 18:06:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP