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Tizanidine-d4

CAT: 0572-TRC-T449502-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T449502-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1188331-19-2
Synonyms
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl-d4)-2,1,3-benzothiadiazol-4-amine;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
ClC1=C(NC2=NC([2H])([2H])C([2H])([2H])N2)C3=NSN=C3C=C1
Molecular Formula
C9H4D4ClN5S
Molecular Weight
257.74
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tizanidine-d4
CAS Number1188331-19-2
PubChem CID44539519
IUPAC Name5-chloro-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Molecular FormulaC9H8ClN5S
Molecular Weight257.74
XLogP1.1
Topological Polar Surface Area90.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity300
SMILES
[2H]C1(C(N=C(N1)NC2=C(C=CC3=NSN=C32)Cl)([2H])[2H])[2H]
InChI
InChI=1S/C9H8ClN5S/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)/i3D2,4D2
InChIKey
XFYDIVBRZNQMJC-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of Tizanidine-d4
CAS: 1188331-19-2
CID: 44539519
Formula: C9H8ClN5S
MW: 257.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.74
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass257.0440011
Monoisotopic Mass257.0440011
Topological Polar Surface Area90.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity300
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-T092622-01Tizanidine-D4
HY-B0194ASTizanidine-d4 (hydrochloride)
ESS0279-01Tizanidine-D4 Hydrochloride
AR-T02398-01Tizanidine-d4 HCl
HY-141725S-01N-Acetyl Tizanidine-d4
T7065-01Tizanidine

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