Chemical identity

Abiraterone Acetate Di Acetoxy Dimer

CAS 1613026-24-6 · C42H60N2O4

01Identity

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

Lazychem IDLC-04492
PubChem CID169442411
NameAbiraterone Acetate Di Acetoxy Dimer
CAS RN1613026-24-6
Molecular formulaC42H60N2O4
Molecular weight656.95 g/mol
IUPAC name(3S,3'S,10R,10'R,13S,13'S,17E,17'E)-Hydrazine-1,2-diylidenebis(10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-yl-17-ylidene) diacetate
InChIKeyAHDQJVGOXSKEFD-RKQPAIJPSA-N

02Structure identifiers

2D structurePubChem CID 169442411
Two-dimensional chemical structure of Abiraterone Acetate Di Acetoxy Dimer, CAS 1613026-24-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aliphatic carbon, has 12 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres12
Unassigned stereocentres0
Ring count8
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=NN=C5CC[C@@H]6[C@@]5(CC[C@H]7[C@H]6CC=C8[C@@]7(CC[C@@H](C8)OC(=O)C)C)C)C)C
InChINot listed
Formula from structureC42H60N2O4
Molecular weight from structure656.95 g/mol

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4,096Before 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 1613026-24-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1613026-24-6 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

Abiraterone

View API and impurity family

Other names

  • Abiraterone Impurity 29/ Abiraterone Acetate Di Acetoxy Dimer
  • Abiraterone Impurity 29
  • Abiraterone Acetate Di Acetoxy Dimer
  • 3b-17-Imino-androst-5-en-3-ol Acetate Dimer
  • 1613026-24-6
  • 3beta-17-Imino-androst-5-en-3-ol Acetate Dimer (1mg/ml in Acetonitrile)

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