Chemical identity

Abiraterone Related Compound 8

CAS 2484719-17-5 · C28H38ClNO

01Identity

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

Lazychem IDLC-04508
PubChem CID155666649
NameAbiraterone Related Compound 8
CAS RN2484719-17-5
Molecular formulaC28H38ClNO
Molecular weight440.07 g/mol
IUPAC name3-((3S,8R,9S,10R,13S,14S)-3-(4-chlorobutoxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
InChIKeyNLUIKYOSBJUYBG-SBBQFRTFSA-N

02Structure identifiers

2D structurePubChem CID 155666649
2D structure: Abiraterone Related Compound 8, CAS 2484719-17-5
Structure of Abiraterone Related Compound 8 (CAS 2484719-17-5). LazyChem record. Source identity: PubChem CID 155666649. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC28H38ClNO
InChIKeyNLUIKYOSBJUYBG-SBBQFRTFSA-N
Ring count5
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)OCCCCCl
InChIInChI=1S/C28H38ClNO/c1-27-13-11-22(31-17-4-3-15-29)18-21(27)7-8-23-25-10-9-24(20-6-5-16-30-19-20)28(25,2)14-12-26(23)27/h5-7,9,16,19,22-23,25-26H,3-4,8,10-15,17-18H2,1-2H3/t22-,23-,25-,26-,27-,28+/m0/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 2484719-17-5 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 2484719-17-5 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

  • O-Chlorobutylabiraterone
  • Chlorobutoxy Abiraterone
  • Pyridine, 3-(3-(4-chlorobutoxy)androsta-5,16-dien-17-yl)

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