CAS 64461-82-1|CAS 51322-75-9|tizanidine hydrochloride|5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride|5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]t...

General Information

Structure

Molecular Formula

C₉H₉Cl₂N₅S

Molecular Mass

290.17226

Exact Mass

288.99557167

Charge

InChI

InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H

InChIKey

ZWUKMNZJRDGCTQ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1NC1=NCCN1)nsn2.Cl

Isomeric Smiles

c12c(c(ccc1nsn2)Cl)NC1=NCCN1.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.16535637

LogD (pH = 7.4)

1.6758085

Log P

2.024673

Molar Refractivity

64.7664

Polarizability

24.50533

Polar Surface Area

62.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tizanidine hydrochloride

IUPAC name

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochloride

Synonyms

5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]thiadiazol-4-amine hydrochlorideSirdaludTizanidine hydrochloride5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochlorideAB-021ZanaflexTizanidine HClTernelin5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine hydrochlorideTizanidine HydrochlorideDS-103-282

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

MDL Number

Registration numbers

Properties