Chemical identity

(17-hydroxy-3-oxoestr-4-en-17α-yl)acetonitrile

CAS 91161-85-2 · C14H17ClO

01Identity

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

Lazychem IDLC-07125
PubChem CID20084027
Name(17-hydroxy-3-oxoestr-4-en-17α-yl)acetonitrile
CAS RN91161-85-2
Molecular formulaC14H17ClO
Molecular weight236.74 g/mol
IUPAC name1-((1r,4r)-4-(4-chlorophenyl)cyclohexyl)ethanone
InChIKeyFLHSIPCMAJDSGB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 20084027
Two-dimensional chemical structure of (17-hydroxy-3-oxoestr-4-en-17α-yl)acetonitrile, CAS 91161-85-2
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)C1CCC(CC1)C2=CC=C(C=C2)Cl
InChINot listed
Formula from structureC14H17ClO
Molecular weight from structure236.74 g/mol

03India 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 91161-85-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 91161-85-2 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.

04Names and relationships

Associated parent compound

Atovaquone

View associated product family

Other names

  • Atovaquone Impurity 1
  • (17-hydroxy-3-oxoestr-4-en-17α-yl)acetonitrile
  • trans-4-(4-Chlorophenyl)-1-acetylcyclohexane
  • 91161-85-2
  • trans-4-(p-Chlorophenyl)-1-acetylcyclohexane
  • 95233-36-6
  • 1-[4-(4-chlorophenyl)cyclohexyl]ethanone
  • cis-4-(4-Chlorophenyl)-1-acetylcyclohexane
  • cis-4-(p-Chlorophenyl)-1-acetylcyclohexane
  • 2171347-18-3
  • 1-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]ethan-1-one
  • 1-(4-(4-chlorophenyl)cyclohexyl)ethan-1-one

Related records from the same parent family

05Documented 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.

06Sources