Chemical identity

17-(3-Pyridyl)androsta-4,16-dien-3-one

CAS 154229-21-7 · C24H29NO

01Identity

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

Lazychem IDLC-04483
PubChem CID196941
Name17-(3-Pyridyl)androsta-4,16-dien-3-one
CAS RN154229-21-7
Molecular formulaC24H29NO
Molecular weight347.50 g/mol
IUPAC name(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
InChIKeyGYJZZAJJENTSTP-NHFPKVKZSA-N

02Structure identifiers

2D structurePubChem CID 196941
2D structure: 17-(3-Pyridyl)androsta-4,16-dien-3-one, CAS 154229-21-7
Structure of 17-(3-Pyridyl)androsta-4,16-dien-3-one (CAS 154229-21-7). LazyChem record. Source identity: PubChem CID 196941. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H29NO
InChIKeyGYJZZAJJENTSTP-NHFPKVKZSA-N
Ring count5
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C
InChIInChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 154229-21-7 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 154229-21-7 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 17
  • (8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one
  • (8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
  • DELTA 4-ABIRATERONE
  • 17-(3-PYRIDINYL)ANDROSTA-4,16-DIEN-3-ONE
  • Androsta-4,16-dien-3-one, 17-(3-pyridinyl)-
  • CB-7627
  • 17-(3-Pyridyl)androsta-5,16-dien-3-one

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