VARENICLINE CITRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13N3.C6H8O7
Molecular Weight	403.3859
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C1[C@H]2CNC[C@@H]1C3=CC4=NC=CN=C4C=C23

InChI

InChIKey=CRRNHPYRGHDVNQ-UFIFRZAQSA-N

InChI=1S/C13H13N3.C6H8O7/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t8-,9+;

HIDE SMILES / InChI

Molecular Formula	C13H13N3
Molecular Weight	211.2624
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:25:48 UTC 2023` Edited by `admin` on `Sat Dec 16 18:25:48 UTC 2023`
Record UNII	G4MC8K7QCJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VARENICLINE CITRATE

Common Name

English

6,10-METHANO-6H-PYRAZINO(2,3-H)(3)BENZAZEPINE, 7,8,9,10-TETRAHYDRO-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

536696-70-5

Created by admin on Sat Dec 16 18:25:48 UTC 2023 , Edited by admin on Sat Dec 16 18:25:48 UTC 2023

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FDA UNII

G4MC8K7QCJ

Created by admin on Sat Dec 16 18:25:48 UTC 2023 , Edited by admin on Sat Dec 16 18:25:48 UTC 2023

PRIMARY

PUBCHEM

155433259

Created by admin on Sat Dec 16 18:25:48 UTC 2023 , Edited by admin on Sat Dec 16 18:25:48 UTC 2023

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SMS_ID

300000001480

Created by admin on Sat Dec 16 18:25:48 UTC 2023 , Edited by admin on Sat Dec 16 18:25:48 UTC 2023

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