Tizanidine EP Impurity G

CAT: 1299-RM-T092607-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T092607-01Size:10 mg

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CAS Number

51322-80-6

Synonyms

N- (5-chlorobenzo[c][1,2,5]thiadiazol-4-yl) cyanamide

Molecular Formula

C7H3ClN4S

Molecular Weight

210.64

Target Alternative Name

Tizanidine

Product Name Synonym

N- (5-chlorobenzo[c][1,2,5]thiadiazol-4-yl) cyanamide

Chemical Information

(5-Chloro-2,1,3-benzothiadiazol-4-yl)cyanamide

CAS Number	51322-80-6
PubChem CID	13785516
IUPAC Name	(5-chloro-2,1,3-benzothiadiazol-4-yl)cyanamide
Molecular Formula	C7H3ClN4S
Molecular Weight	210.64
XLogP	2.5
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	240

SMILES

C1=CC2=NSN=C2C(=C1Cl)NC#N

InChI

InChI=1S/C7H3ClN4S/c8-4-1-2-5-7(12-13-11-5)6(4)10-3-9/h1-2,10H

InChIKey

BPGDXFFKSUUPBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51322-80-6

CID: 13785516

Formula: C7H3ClN4S

MW: 210.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.64
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	209.9766950
Monoisotopic Mass	209.9766950
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-T092601-01	Tizanidine EP Impurity A
RM-T092604-01	Tizanidine EP Impurity D
RM-T092606-01	Tizanidine EP Impurity F
RM-T092605-01	Tizanidine EP Impurity E
RM-T092603-01	Tizanidine EP Impurity C
RM-T092602-01	Tizanidine EP Impurity B
RM-T092608-01	Tizanidine EP Impurity H (controlled substance)
RM-E192020-01	Escitalopram EP Impurity G; Citalopram EP Impurity G
RM-T162007-01	Tryptophan EP Impurity G; N-Acetyltryptophan EP Impurity G
RM-G051301-01	Gemfibrozil EP Impurity A; Metacresol EP Impurity G

Catalog	Name
AR-T00993-01	Tizanidine Impurity A
CS-T-72004	Tizanidine Guanidine Impurity
AR-T05340-01	Tizanidine Impurity 2
AR-T05342-01	Tizanidine Impurity 4
CS-TB-24444	Tizanidine EP Impurity A
AR-T05344-01	Tizanidine Impurity 6
AR-T02403-01	Tizanidine Dimer Impurity
CS-T-15027	Tizanidine Dehydro Impurity
CS-T-11767	Tizanidine Lactam Impurity
AR-T05343-01	Tizanidine Impurity 5