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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H11F2N3O4
Molecular Weight 263.1985
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMCITABINE .ALPHA.-ANOMER

SMILES

c1cn([C@]2([H])C([C@@]([H])([C@@]([H])(CO)O2)O)(F)F)c(nc1=N)O

InChI

InChIKey=SDUQYLNIPVEERB-QXRNQMCJSA-N
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H11F2N3O4
Molecular Weight 263.1985
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:34:48 UTC 2021
Edited
by admin
on Sat Jun 26 03:34:48 UTC 2021
Record UNII
D5E7OL4IXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GEMCITABINE .ALPHA.-ANOMER
Common Name English
GEMCITABINE .ALPHA.-ANOMER [USP]
Common Name English
2(1H)-PYRIMIDINONE, 4-AMINO-1-(2-DEOXY-2,2-DIFLUORO-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)-
Systematic Name English
4-AMINO-1-(2-DEOXY-2,2-DIFLUORO-.ALPHA.-D-ERYTHRO-PENTOFURANOSYL)-2(1H)-PYRIMIDINONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9943183
Created by admin on Sat Jun 26 03:34:48 UTC 2021 , Edited by admin on Sat Jun 26 03:34:48 UTC 2021
PRIMARY
CAS
95058-85-8
Created by admin on Sat Jun 26 03:34:48 UTC 2021 , Edited by admin on Sat Jun 26 03:34:48 UTC 2021
PRIMARY
FDA UNII
D5E7OL4IXV
Created by admin on Sat Jun 26 03:34:48 UTC 2021 , Edited by admin on Sat Jun 26 03:34:48 UTC 2021
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
USP