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
2D structure: Abiraterone Acetate Di Acetoxy Dimer, CAS 1613026-24-6
Structure of Abiraterone Acetate Di Acetoxy Dimer (CAS 1613026-24-6). LazyChem record. Source identity: PubChem CID 169442411. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC42H60N2O4
InChIKeyAHDQJVGOXSKEFD-RKQPAIJPSA-N
Ring count8
Defined stereocentres12
Unassigned stereocentres0
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
InChIInChI=1S/C42H60N2O4/c1-25(45)47-29-15-19-39(3)27(23-29)7-9-31-33-11-13-37(41(33,5)21-17-35(31)39)43-44-38-14-12-34-32-10-8-28-24-30(48-26(2)46)16-20-40(28,4)36(32)18-22-42(34,38)6/h7-8,29-36H,9-24H2,1-6H3/t29-,30-,31-,32-,33-,34-,35-,36-,39-,40-,41-,42-/m0/s1

03Stereochemistry

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

Defined stereocentres122D structure
Unassigned stereocentres02D structure
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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1613026-24-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1613026-24-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

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
  • 3b-17-Imino-androst-5-en-3-ol Acetate Dimer
  • 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