Detomidine Hydrochloride

Basic Information

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CAS Number

90038-01-0

Molecular Formula

C12H15ClN2

Molecular Weight

222.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

158.0 to 162.0 deg-C

Boiling Point

386.5℃ at 760 mmHg

Flash Point

200.6°C

SMILES

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CC1=C(C(=CC=C1)CC2=CN=CN2)C.Cl

InChI

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

LogP

3.0391400000000006

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

181

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Detomidine hydrochloride
4-[(2,3-Dimethylphenyl)methyl]-1H-imidazole monohydrochloride
Detomidine HCl
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole,hydrochloride
Detomidine (hydrochloride)
5-(2,3-Dimethylbenzyl)-1H-imidazole Hydrochloride
Domosedan
Detomidine hydrochloride [USAN]
95K4LKB6QE
1H-Imidazole, 4-[(2,3-dimethylphenyl)methyl]-, monohydrochloride
4-(2',3'-Dimethylbenzyl)imidazole hydrochloride
4-(2,3-Dimethylbenzyl)imidazole monohydrochloride
4-(2,3-dimethylbenzyl)-1h-imidazole hydrochloride
4-((2,3-Dimethylphenyl)methyl)-1H-imidazole hydrochloride
5-(2,3-Dimethylbenzyl)imidazole Hydrochloride
DSSTox_RID_82858
DSSTox_
1H-Imidazole, 4-[(2,3-dimethylphenyl)methyl]-, monohydrochloride (9CI)
Dormosedan
MPV 253AII
4-(2,3-dimethylbenzyl)-1H-imidazole
hydrochloride (1:1)
Tox21_113020
AC-309
CHEMBL2106210
SBI-0654168.0001
J-516575
SCHEMBL203174
D4331
MPV-253 AII
5-[(2,3-dimethylphenyl)methyl]-1H-imidazole;hydrochloride

MDL Number

MFCD17292784

Customs Code

2933290090

FAQ

What are the physical and chemical properties of Detomidine Hydrochloride (CAS: 90038-01-0)?

Detomidine Hydrochloride is a crystalline compound with a molecular weight of approximately 469.86 g/mol. It is slightly soluble in water and sparingly soluble in ethanol. Chemically, it is highly reactive under basic conditions and relatively stable under acidic conditions.

How is Detomidine Hydrochloride (CAS: 90038-01-0) typically synthesized?

Detomidine Hydrochloride is synthesized via a multi-step process involving condensation reactions, hydrogenation, and hydrochloric acid treatment. Key steps include the formation of a lactam from a substituted benzene ring, followed by reduction and hydrochloride salt formation. Yield and selectivity are optimized through precise control of reaction conditions and catalysts.

What industries use Detomidine Hydrochloride (CAS: 90038-01-0)?

Detomidine Hydrochloride is primarily used in the pharmaceutical industry for veterinary applications, particularly as an anesthetic. It is also used in research for pharmacological studies. Its use in manufacturing animal health products and veterinary medicines is widespread.

What precautions should be taken when handling Detomidine Hydrochloride (CAS: 90038-01-0)?

Handling Detomidine Hydrochloride requires appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be conducted in a well-ventilated area or fume hood. In case of spill, neutralize with a suitable acid or base before cleanup. Always refer to the Safety Data Sheet (SDS) for detailed guidelines and emergency procedures.