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Metizoline Hydrochloride

CAT: 0572-TRC-M338980-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338980-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5090-37-9
Synonyms
1H-Imidazole, 4,5-dihydro-2-[(2-methylbenzo[b]thien-3-yl)methyl]-, hydrochloride (1:1); 1H-Imidazole, 4,5-dihydro-2-[(2-methylbenzo[b]thien-3-yl)methyl]-, monohydrochloride (9CI); 2-Imidazoline, 2-[(2-methylbenzo[b]thien-3-yl)methyl]-, hydrochloride (7CI); 2-Imidazoline, 2-[(2-methylbenzo[b]thien-3-yl)methyl]-, monohydrochloride (8CI); Benazoline hydrochloride; EX 10-781; Ellsyl; Elsyl; Eunasin; Metizoline hydrochloride; RMI 10482A
Hazard Statement
No Data Available
Smiles
Cl.Cc1sc2ccccc2c1CC3=NCCN3
Molecular Formula
C13 H14 N2 S . H Cl
Molecular Weight
266.79
InChI
InChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H
Additionnal Information
IUPAC name: 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Metizoline Hydrochloride

See also: Metizoline (has active moiety).

CAS Number5090-37-9
PubChem CID68629
IUPAC Name2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Molecular FormulaC13H15ClN2S
Molecular Weight266.79
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity290
SMILES
CC1=C(C2=CC=CC=C2S1)CC3=NCCN3.Cl
InChI
InChI=1S/C13H14N2S.ClH/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;/h2-5H,6-8H2,1H3,(H,14,15);1H
InChIKey
FPTJVMYMFXHIFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metizoline Hydrochloride
CAS: 5090-37-9
CID: 68629
Formula: C13H15ClN2S
MW: 266.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.79
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass266.0644474
Monoisotopic Mass266.0644474
Topological Polar Surface Area52.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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