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Dexmedetomidine

CAT: 0572-TRC-D299000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D299000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113775-47-6
Synonyms
Dexmedetomidine
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
C[C@H](c1c[nH]cn1)c2cccc(C)c2C
Molecular Formula
C13 H16 N2
Molecular Weight
200.28
InChI
InChI=1S/C13H16N2/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)/t11-/m0/s1
Additionnal Information
IUPAC name: 4-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dexmedetomidine

Dexmedetomidine is a medetomidine. It has a role as an analgesic, a non-narcotic analgesic, an alpha-adrenergic agonist and a sedative. It is an enantiomer of a levomedetomidine.

CAS Number113775-47-6
PubChem CID5311068
IUPAC Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
Molecular FormulaC13H16N2
Molecular Weight200.28
XLogP3.1
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity205
SMILES
CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C
InChI
InChI=1S/C13H16N2/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)/t11-/m0/s1
InChIKey
CUHVIMMYOGQXCV-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Dexmedetomidine
CAS: 113775-47-6
CID: 5311068
Formula: C13H16N2
MW: 200.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.28
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass200.131348519
Monoisotopic Mass200.131348519
Topological Polar Surface Area28.7 Ų
Heavy Atom Count15
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
317594Dexmedetomidine
MBS130448-01Dexmedetomidine hydrochloride
B1357-50Dexmedetomidine HCl
HY-12719R-01Dexmedetomidine (Standard)

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