Chemical identity

Halcinonide Impurity N1

CAS 3093-36-5 · C24H33FO5

01Identity

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

Lazychem IDLC-16461
PubChem CID176489245
NameHalcinonide Impurity N1
CAS RN3093-36-5
Molecular formulaC24H33FO5
Molecular weight420.52 g/mol
IUPAC name(6aS,6bR,7S,8aS,8bS,11aS,12aS,12bS)-8b-Acetyl-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-1,2,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
InChIKeyXSTGVVQIRLXDLQ-NBZNFXJDSA-N

02Structure identifiers

2D structurePubChem CID 176489245
Two-dimensional chemical structure of Halcinonide Impurity N1, CAS 3093-36-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres2
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)[C@@]12[C@@H](CC3[C@@]1(C[C@@H]([C@]4(C3CCC5=CC(=O)CC[C@@]54C)F)O)C)OC(O2)(C)C
InChINot listed
Formula from structureC24H33FO5
Molecular weight from structure420.52 g/mol

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 3093-36-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 3093-36-5 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

Halcinonide

View API and impurity family

Other names

  • Halcinonide Impurity 1
  • Halcinonide Impurity N1
  • 3093-36-5

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