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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

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@H]3OC(=O)O[C@@H]23

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 Mon Mar 31 21:33:38 GMT 2025
Edited
by admin
on Mon Mar 31 21:33:38 GMT 2025
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   USP-RS  
Preferred Name English
CAPECITABINE RELATED COMPOUND C [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 Mon Mar 31 21:33:38 GMT 2025 , Edited by admin on Mon Mar 31 21:33:38 GMT 2025
PRIMARY
FDA UNII
98DRJ1XQ80
Created by admin on Mon Mar 31 21:33:38 GMT 2025 , Edited by admin on Mon Mar 31 21:33:38 GMT 2025
PRIMARY
CAS
921769-65-5
Created by admin on Mon Mar 31 21:33:38 GMT 2025 , Edited by admin on Mon Mar 31 21:33:38 GMT 2025
PRIMARY
PUBCHEM
58434491
Created by admin on Mon Mar 31 21:33:38 GMT 2025 , Edited by admin on Mon Mar 31 21:33:38 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY