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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl2N3O5S
Molecular Weight 470.326
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORORIVAROXABAN

SMILES

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

InChI

InChIKey=CCLKYVZRBJQFLK-ZDUSSCGKSA-N
InChI=1S/C19H17Cl2N3O5S/c20-14-7-15(30-17(14)21)18(26)22-8-13-9-24(19(27)29-13)12-3-1-11(2-4-12)23-5-6-28-10-16(23)25/h1-4,7,13H,5-6,8-10H2,(H,22,26)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H17Cl2N3O5S
Molecular Weight 470.326
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 19:01:27 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:27 GMT 2023
Record UNII
BML93WU84W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORORIVAROXABAN
Common Name English
4,5-DICHLORO-N-(((5S)-2-OXO-3-(4-(3-OXOMORPHOLIN-4-YL)PHENYL)-1,3-OXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE
Systematic Name English
2-THIOPHENECARBOXAMIDE, 4,5-DICHLORO-N-(((5S)-2-OXO-3-(4-(3-OXO-4-MORPHOLINYL)PHENYL)-5-OXAZOLIDINYL)METHYL)-
Systematic Name English
RIVAROXABAN IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
BML93WU84W
Created by admin on Sat Dec 16 19:01:28 GMT 2023 , Edited by admin on Sat Dec 16 19:01:28 GMT 2023
PRIMARY
PUBCHEM
78358408
Created by admin on Sat Dec 16 19:01:28 GMT 2023 , Edited by admin on Sat Dec 16 19:01:28 GMT 2023
PRIMARY
RS_ITEM_NUM
1604585
Created by admin on Sat Dec 16 19:01:28 GMT 2023 , Edited by admin on Sat Dec 16 19:01:28 GMT 2023
PRIMARY
CAS
1770812-37-7
Created by admin on Sat Dec 16 19:01:28 GMT 2023 , Edited by admin on Sat Dec 16 19:01:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP