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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H14F2N3O7P
Molecular Weight 345.1939
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GEMCITABINE 5'-MONOPHOSPHATE

SMILES

NC1NC(=O)N(C=C1)[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)C2(F)F

InChI

InChIKey=WRQBYMGFHZCJEI-GFEXSSHISA-N
InChI=1S/C9H14F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4-7,15H,3,12H2,(H,13,16)(H2,17,18,19)/t4-,5?,6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H14F2N3O7P
Molecular Weight 345.1939
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
PI8BMT9ZCP
Record Status Validated (UNII)
Record Version
Name Type Language
GEMCITABINE 5'-MONOPHOSPHATE
Common Name English
Code System Code Type Description
FDA UNII
PI8BMT9ZCP PRIMARY
PUBCHEM
131634196 PRIMARY
CAS
116371-67-6 PRIMARY
EPA CompTox
DTXSID90747851 PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY