GEMCITABINE 5'-DIPHOSPHATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H13F2N3O10P2
Molecular Weight	423.158
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GEMCITABINE 5'-DIPHOSPHATE

Structure Search

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)C2(F)F

InChI

InChIKey=FRQISCZGNNXEMD-QPPQHZFASA-N

InChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C9H13F2N3O10P2
Molecular Weight	423.158
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 `Mon Mar 31 22:43:11 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:11 GMT 2025`
Record UNII	6FIZ684IIK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-DEOXY-2',2'-DIFLUOROCYTIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)

Preferred Name

English

GEMCITABINE 5'-DIPHOSPHATE

Common Name

English

CYTIDINE 5'-(TRIHYDROGEN DIPHOSPHATE), 2'-DEOXY-2',2'-DIFLUORO-

Systematic Name

English

DFDCDP

Common Name

English

Code System Code Type Description

FDA UNII

6FIZ684IIK

Created by admin on Mon Mar 31 22:43:11 GMT 2025 , Edited by admin on Mon Mar 31 22:43:11 GMT 2025

PRIMARY

PUBCHEM

6420157

Created by admin on Mon Mar 31 22:43:11 GMT 2025 , Edited by admin on Mon Mar 31 22:43:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID401344657

Created by admin on Mon Mar 31 22:43:11 GMT 2025 , Edited by admin on Mon Mar 31 22:43:11 GMT 2025

PRIMARY

CAS

116371-66-5

Created by admin on Mon Mar 31 22:43:11 GMT 2025 , Edited by admin on Mon Mar 31 22:43:11 GMT 2025

PRIMARY

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