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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20FN3O7
Molecular Weight 385.3443
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2',3'-O-CARBONYL-5'-DEOXY-5-FLUORO-N4-(PENTYLOXYCARBONYL)CYTIDINE

SMILES

[H][C@]12OC(=O)O[C@@]1([H])[C@@H](O[C@@H]2C)N3C=C(F)C(NC(=O)OCCCCC)=NC3=O

InChI

InChIKey=VTAMAYSBXXKQPB-UORFTKCHSA-N
InChI=1S/C16H20FN3O7/c1-3-4-5-6-24-15(22)19-12-9(17)7-20(14(21)18-12)13-11-10(8(2)25-13)26-16(23)27-11/h7-8,10-11,13H,3-6H2,1-2H3,(H,18,19,21,22)/t8-,10-,11-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20FN3O7
Molecular Weight 385.3443
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:32:26 UTC 2023
Edited
by admin
on Thu Jul 06 11:32:26 UTC 2023
Record UNII
98DRJ1XQ80
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2',3'-O-CARBONYL-5'-DEOXY-5-FLUORO-N4-(PENTYLOXYCARBONYL)CYTIDINE
Common Name English
CAPECITABINE RELATED COMPOUND C [USP-RS]
Common Name English
CAPECITABINE RELATED COMPOUND C
USP   USP-RS  
Common Name English
CYTIDINE, 5'-DEOXY-5-FLUORO-N-((PENTYLOXY)CARBONYL)-, CYCLIC 2',3'-CARBONATE
Common Name English
CAPECITABINE RELATED COMPOUND C [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1090739
Created by admin on Thu Jul 06 11:32:26 UTC 2023 , Edited by admin on Thu Jul 06 11:32:26 UTC 2023
PRIMARY
FDA UNII
98DRJ1XQ80
Created by admin on Thu Jul 06 11:32:26 UTC 2023 , Edited by admin on Thu Jul 06 11:32:26 UTC 2023
PRIMARY
CAS
921769-65-5
Created by admin on Thu Jul 06 11:32:26 UTC 2023 , Edited by admin on Thu Jul 06 11:32:26 UTC 2023
PRIMARY
PUBCHEM
58434491
Created by admin on Thu Jul 06 11:32:26 UTC 2023 , Edited by admin on Thu Jul 06 11:32:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY