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Dexmedetomidine hydrochloride

CAT: 0926-FD167004-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FD167004-01Size:0.5 g
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CAS Number
145108-58-3
MDL Number
MFCD07772269
Smiles
CC1=C (C (=CC=C1) [C@H] (C) C2=CN=CN2) C.Cl
Molecular Formula
C13H16N2•HCl
Molecular Weight
236.74 g/mol
Controlled
No

Chemical Information

Dexmedetomidine Hydrochloride

Dexmedetomidine hydrochloride is a medetomidine hydrochloride. It has a role as a sedative. It contains a dexmedetomidine. It is an enantiomer of a levomedetomidine hydrochloride.

CAS Number145108-58-3
PubChem CID6918081
IUPAC Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
Molecular FormulaC13H17ClN2
Molecular Weight236.74
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity205
SMILES
CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C.Cl
InChI
InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
InChIKey
VPNGEIHDPSLNMU-MERQFXBCSA-N
Chemical Structure
2D Structure
2D structure of Dexmedetomidine Hydrochloride
CAS: 145108-58-3
CID: 6918081
Formula: C13H17ClN2
MW: 236.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass236.1080262
Monoisotopic Mass236.1080262
Topological Polar Surface Area28.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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