Chemical identity

1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-, ethyl ester

CAS 84711-26-2 · C14H16N2O2S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14739
PubChem CID1201654
Name1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-, ethyl ester
CAS RN84711-26-2
Molecular formulaC14H16N2O2S
Molecular weight276.35 g/mol
IUPAC nameethyl (R)-3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate
InChIKeyURUAOABMVSHWSB-SNVBAGLBSA-N

02Structure identifiers

2D structurePubChem CID 1201654
Two-dimensional chemical structure of 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-, ethyl ester, CAS 84711-26-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC(=O)C1=CNC(=S)N1[C@H](C)C2=CC=CC=C2
InChINot listed
Formula from structureC14H16N2O2S
Molecular weight from structure276.35 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 84711-26-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 84711-26-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Etomidate

View API and impurity family

Other names

  • Etomidate Impurity 4
  • 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-, ethyl ester
  • 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-(1-phenylethyl)-2-thioxo-, ethyl ester, ®
  • Ethyl 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-1H-imidazole-4-carboxylate
  • Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
  • 84711-26-2
  • EINECS 283-735-1
  • 2-Mercapto Etomidate
  • ethyl 3-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate
  • Etomidate EP IMpurity D
  • ethyl 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylate
  • Etomidate Impurity5

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources