Chemical identity

Abiraterone Acetate Reduced Impurity

CAS 2141996-19-0 · C26H35NO2

01Identity

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

Lazychem IDLC-04449
PubChem CID68086781
NameAbiraterone Acetate Reduced Impurity
CAS RN2141996-19-0
Molecular formulaC26H35NO2
Molecular weight393.57 g/mol
IUPAC name(3S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-(pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl Acetate
InChIKeyHEZPFKLQXRMCLZ-QBDJRUFWSA-N

02Structure identifiers

2D structurePubChem CID 68086781
2D structure: Abiraterone Acetate Reduced Impurity, CAS 2141996-19-0
Structure of Abiraterone Acetate Reduced Impurity (CAS 2141996-19-0). LazyChem record. Source identity: PubChem CID 68086781. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H35NO2
InChIKeyHEZPFKLQXRMCLZ-QBDJRUFWSA-N
Ring count5
Defined stereocentres6
Unassigned stereocentres1
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2C1)CC=C4C5=CN=CC=C5)C)C
InChIInChI=1S/C26H35NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-5,8,14,16,19-21,23-24H,6-7,9-13,15H2,1-3H3/t19?,20-,21-,23-,24-,25-,26+/m0/s1

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 2141996-19-0 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 2141996-19-0 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

  • 2,3,4,5,6,7,8,9,10,11,12,13,14,15-Tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, (3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-
  • Abiraterone Impurity 15
  • orb3181282
  • H53176
  • F569077
  • (3S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

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