GEMCITABINE-5'-MONOPHOSPHATE DISODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H10F2N3O7P.2Na
Molecular Weight	387.1417
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GEMCITABINE-5'-MONOPHOSPHATE DISODIUM

Structure Search

SMILES

[Na+].[Na+].NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)C2(F)F

InChI

InChIKey=JVSFEPHISQCATF-AGPLKARSSA-L

InChI=1S/C9H12F2N3O7P.2Na/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16;;/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19);;/q;2*+1/p-2/t4-,6-,7-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C9H10F2N3O7P
Molecular Weight	341.1622
Charge	-2
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 Dec 16 13:33:50 UTC 2023` Edited by `admin` on `Sat Dec 16 13:33:50 UTC 2023`
Record UNII	OO7O3T57O3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GEMCITABINE-5'-MONOPHOSPHATE DISODIUM

Common Name

English

GEMCITABINE-5'-MONOPHOSPHATE DISODIUM SALT

Common Name

English

5'-CYTIDYLIC ACID, 2'-DEOXY-2',2'-DIFLUORO-, SODIUM SALT (1:2)

Systematic Name

English

Code System Code Type Description

CAS

1638288-31-9

Created by admin on Sat Dec 16 13:33:50 UTC 2023 , Edited by admin on Sat Dec 16 13:33:50 UTC 2023

PRIMARY

FDA UNII

OO7O3T57O3

Created by admin on Sat Dec 16 13:33:50 UTC 2023 , Edited by admin on Sat Dec 16 13:33:50 UTC 2023

PRIMARY

PUBCHEM

135391057

Created by admin on Sat Dec 16 13:33:50 UTC 2023 , Edited by admin on Sat Dec 16 13:33:50 UTC 2023

PRIMARY

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GEMCITABINE 5'-MONOPHOSPHATE

PARENT -> SALT/SOLVATE