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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2.ClH.H2O
Molecular Weight 240.729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETOMIDINE HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.CC1=CC=CC(CC2=CNC=N2)=C1C

InChI

InChIKey=IQBSKEIWIRTMOT-UHFFFAOYSA-N
InChI=1S/C12H14N2.ClH.H2O/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;1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H14N2
Molecular Weight 186.253
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:18 UTC 2023
Edited
by admin
on Sat Dec 16 18:11:18 UTC 2023
Record UNII
44V8Q4D5J6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETOMIDINE HYDROCHLORIDE MONOHYDRATE
Common Name English
1H-IMIDAZOLE, 5-((2,3-DIMETHYLPHENYL)METHYL)-, HYDROCHLORIDE, HYDRATE (1:1:1)
Systematic Name English
5-((2,3-DIMETHYLPHENYL)METHYL)-1H-IMIDAZOLE;HYDRATE;HYDROCHLORIDE
Systematic Name English
1H-IMIDAZOLE, 4-((2,3-DIMETHYLPHENYL)METHYL)-, MONOHYDROCHLORIDE, MONOHYDRATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40238002
Created by admin on Sat Dec 16 18:11:19 UTC 2023 , Edited by admin on Sat Dec 16 18:11:19 UTC 2023
PRIMARY
SMS_ID
300000011460
Created by admin on Sat Dec 16 18:11:19 UTC 2023 , Edited by admin on Sat Dec 16 18:11:19 UTC 2023
PRIMARY
CAS
90038-00-9
Created by admin on Sat Dec 16 18:11:19 UTC 2023 , Edited by admin on Sat Dec 16 18:11:19 UTC 2023
PRIMARY
FDA UNII
44V8Q4D5J6
Created by admin on Sat Dec 16 18:11:19 UTC 2023 , Edited by admin on Sat Dec 16 18:11:19 UTC 2023
PRIMARY
PUBCHEM
177225
Created by admin on Sat Dec 16 18:11:19 UTC 2023 , Edited by admin on Sat Dec 16 18:11:19 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY