Chemical identity

Efavirenz Amino Alcohol Ethyl Carbamate

CAS 211563-41-6 · C16H15ClF3NO3

01Identity

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

Lazychem IDLC-13780
PubChem CID71587639
NameEfavirenz Amino Alcohol Ethyl Carbamate
CAS RN211563-41-6
Molecular formulaC16H15ClF3NO3
Molecular weight361.74 g/mol
IUPAC nameethyl N-[4-chloro-2-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]carbamate
InChIKeyBZIKLWWRUOKZMC-HNNXBMFYSA-N

02Structure identifiers

2D structurePubChem CID 71587639
Two-dimensional chemical structure of Efavirenz Amino Alcohol Ethyl Carbamate, CAS 211563-41-6
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, contains at least one halogen atom. 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)NC1=C(C=C(C=C1)Cl)[C@@](C#CC2CC2)(C(F)(F)F)O
InChINot listed
Formula from structureC16H15ClF3NO3
Molecular weight from structure361.74 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

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 211563-41-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 211563-41-6 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

Efavirenz

View associated product family

Other names

  • (S)-ethyl 4-chloro-2-(4-cyclopropyl-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl)phenylcarbamate
  • Efavirenz amino alcohol ethyl carbamate
  • 211563-41-6
  • MCK9QPK7LI
  • UNII-MCK9QPK7LI
  • DTXSID70175395
  • EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE [USP IMPURITY]
  • EFAVIRENZ IMPURITY, EFAVIRENZ AMINO ALCOHOL ETHYL CARBAMATE-
  • CARBAMIC ACID, (4-CHLORO-2-((1S)-3-CYCLOPROPYL-1-HYDROXY-1-(TRIFLUOROMETHYL)-2-PROPYNYL)PHENYL)-, ETHYL ESTER
  • ETHYL (4-CHLORO-2-((1S)-1-TRIFLUOROMETHYL-1-HYDROXY-3-CYCLOPROPYL-2-PROPYN-1-YL)PHENYL)CARBAMATE
  • ETHYL 4-CHLORO-2-(4-CYCLOPROPYL-1,1,1-TRIFLUORO-2-HYDROXYBUT-3-YN-2-YL)PHENYLCARBAMATE, (S)-
  • RefChem:136324

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