U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O2.ClH
Molecular Weight 266.723
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METOMIDATE HYDROCHLORIDE, (S)-

SMILES

Cl.COC(=O)C1=CN=CN1[C@@H](C)C2=CC=CC=C2

InChI

InChIKey=NZEDTZKNEKPBGR-PPHPATTJSA-N
InChI=1S/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H14N2O2
Molecular Weight 230.2625
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:01:14 GMT 2023
Edited
by admin
on Sat Dec 16 05:01:14 GMT 2023
Record UNII
8UM2EXB52J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METOMIDATE HYDROCHLORIDE, (S)-
Common Name English
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-(1-PHENYLETHYL)-, METHYL ESTER, MONOHYDROCHLORIDE, (S)-
Common Name English
METOMIDATE HYDROCHLORIDE, (-)-
Common Name English
1H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-((1S)-1-PHENYLETHYL)-, METHYL ESTER, HYDROCHLORIDE (1:1)
Common Name English
(-)-METOMIDATE HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
8UM2EXB52J
Created by admin on Sat Dec 16 05:01:14 GMT 2023 , Edited by admin on Sat Dec 16 05:01:14 GMT 2023
PRIMARY
PUBCHEM
3050435
Created by admin on Sat Dec 16 05:01:14 GMT 2023 , Edited by admin on Sat Dec 16 05:01:14 GMT 2023
PRIMARY
CAS
66392-65-2
Created by admin on Sat Dec 16 05:01:14 GMT 2023 , Edited by admin on Sat Dec 16 05:01:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID30985038
Created by admin on Sat Dec 16 05:01:14 GMT 2023 , Edited by admin on Sat Dec 16 05:01:14 GMT 2023
PRIMARY