TIZANIDINE HEMISUCCINATE SESQUIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C9H8ClN5S.C4H6O4.3H2O
Molecular Weight	679.557
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TIZANIDINE HEMISUCCINATE SESQUIHYDRATE

Structure Search

SMILES

O.O.O.OC(=O)CCC(O)=O.ClC1=C(NC2=NCCN2)C3=NSN=C3C=C1.ClC4=C(NC5=NCCN5)C6=NSN=C6C=C4

InChI

InChIKey=QIDIKQBIRYTZGF-UHFFFAOYSA-N

InChI=1S/2C9H8ClN5S.C4H6O4.3H2O/c2*10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;5-3(6)1-2-4(7)8;;;/h2*1-2H,3-4H2,(H2,11,12,13);1-2H2,(H,5,6)(H,7,8);3*1H2

HIDE SMILES / InChI

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C9H8ClN5S
Molecular Weight	253.711
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 14:48:08 UTC 2023` Edited by `admin` on `Sat Dec 16 14:48:08 UTC 2023`
Record UNII	LBA0HD4UHF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIZANIDINE HEMISUCCINATE SESQUIHYDRATE

Common Name

English

BUTANEDIOIC ACID, COMPD. WITH 5-CHLORO-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2,1,3-BENZOTHIADIAZOL-4-AMINE, HYDRATE (1:2:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

138455009

Created by admin on Sat Dec 16 14:48:08 UTC 2023 , Edited by admin on Sat Dec 16 14:48:08 UTC 2023

PRIMARY

FDA UNII

LBA0HD4UHF

Created by admin on Sat Dec 16 14:48:08 UTC 2023 , Edited by admin on Sat Dec 16 14:48:08 UTC 2023

PRIMARY

CAS

1051886-74-8

Created by admin on Sat Dec 16 14:48:08 UTC 2023 , Edited by admin on Sat Dec 16 14:48:08 UTC 2023

PRIMARY

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