Etomidate Impurity 23

HCID 178876066CAS 112421-33-7
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Basic information

Standard SMILES
CCOC(=O)c1c[nH]c(=S)n1[C@@H](C)c1ccccc1
InChIKey
URUAOABMVSHWSB-JTQLQIEISA-N
Molecular formula
C14H16N2O2S
Average molar mass
276.36 g/mol

Names & identifiers

Preferred name
Etomidate Impurity 23
IUPAC
ethyl 3-[(1S)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate
English name
Etomidate Impurity 20
Molecular formula
C14H16N2O2S
Molecular weight
276.35

Names & synonyms

112421-33-7Etomidate Impurity 23ethyl (S)-3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylateEtomidate Impurity 20Etomidate impurity 61ethyl(S)-2-mercapto-1-(1-phenylethyl)-1H-imidazole-5-carboxylate1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-(1-phenylethyl)-2-thioxo-, ethyl ester, (S)- (9CI)Etomidate Impurity Ⅰ:(2-amidolidomidate) (+)-1-[(1R)-(α-methylbenzyl)]-2-mercapto-1H-imidazole-5-carboxylic acid ethyl ester

Database identifiers

CAS
112421-33-7

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
73.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Chemistry & industry

Suppliers20 total

天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]

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