Gemcitabine alpha-anomer hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H11F2N3O4.ClH
Molecular Weight	299.659
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Gemcitabine alpha-anomer hydrochloride

Structure Search

SMILES

Cl.NC1=NC(=O)N(C=C1)[C@H]2O[C@H](CO)[C@@H](O)C2(F)F

InChI

InChIKey=OKKDEIYWILRZIA-ZWKSQQCZSA-N

InChI=1S/C9H11F2N3O4.ClH/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);1H/t4-,6-,7+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C9H11F2N3O4
Molecular Weight	263.1981
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 `Wed Apr 02 17:21:43 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:43 GMT 2025`
Record UNII	XX232M8RBX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Gemcitabine alpha-anomer hydrochloride

Common Name

English

1'-Epi Gemcitabine Hydrochloride

Preferred Name

English

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2,2-difluoro-?-D-erythro-pentofuranosyl)-, monohydrochloride

Systematic Name

English

4-Amino-1-((2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride

Systematic Name

English

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2,2-difluoro-?-D-erythro-pentofuranosyl)-, hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

117072635

Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025

PRIMARY

CAS

122111-05-1

Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025

PRIMARY

FDA UNII

XX232M8RBX

Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025

PRIMARY

EPA CompTox

DTXSID70675880

Created by admin on Wed Apr 02 17:21:43 GMT 2025 , Edited by admin on Wed Apr 02 17:21:43 GMT 2025

PRIMARY

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Amount: