Detomidine Hydrochloride
Basic information
- CAS
90038-01-0- Standard SMILES
Cc1cccc(Cc2cnc[nH]2)c1C.Cl- InChIKey
OIWRDXKNDCJZSM-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2
- Average molar mass
- 222.71 g/mol
- Monoisotopic mass
- 222.0923762
Overview
See also: Detomidine (has active moiety).
Names & identifiers
- Preferred name
- Detomidine Hydrochloride
- IUPAC
- 5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride
- English name
- Detomidine hydrochloride
- Molecular formula
- C12H15ClN2
- Molecular weight
- 222.7139
Names & synonyms
DETOMIDINE HYDROCHLORIDE90038-01-0Detomidine HClMPV-253 AIIDTXSID704866195K4LKB6QEDTXCID00285871H-Imidazole, 4-((2,3-dimethylphenyl)methyl)-, monohydrochloride1H-Imidazole, 4-[(2,3-dimethylphenyl)methyl]-, monohydrochlorideDormosedandetomidine monohydrochlorideDetomequin
Show more names
API017MPV253)DTMT.HClMPV 253AIIα-QuinidineDetomidine HCl (MPV 253
DetomisedDormosedan GelDormosedan SterileRefChem:58522DomosedanDetomidine hydrochloride [USAN]5-(2,3-Dimethylbenzyl)-1H-imidazole HydrochlorideMFCD17292784
Database identifiers
- CAS
90038-01-0- PubChem CID
- 56031
- DTXSID
DTXSID7048661- ChEMBL
CHEMBL2106210- UNII
- 95K4LKB6QE
- EC Number
- 682-040-4、933-125-2
Properties
Computed structural properties
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Animal Drugs
FDA approved animal drugs -> Active ingredient
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 160 °C · 160°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H
- InChIKey
- OIWRDXKNDCJZSM-UHFFFAOYSA-N
- SMILES
- [Cl-].[nH]1cncc1Cc2c(c(ccc2)C)C.[H+]
- FDA UNII
- 95 K4LKB6QE · 95K4LKB6QE
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H331 (33.3%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory InformationDetomidine hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- rtecs
- NI5160000
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933.29.4300
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H311-H301-H331
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
Applications
UsesDetomidine Hydrochloride is an α-Adrenoceptor agonist with sedative and analgesic activity. Sedative.
Usesα-Adrenoceptor agonist with sedative and analgesic activity. Sedative.
UsesDetomidine produce dose-dependent sedative and analgesic effects, mediatated by activation of α2 catecholamine receptors.
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Compound notes
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