Chemical identity

Abiraterone Related Compound 2 (Prasterone Triflate)

CAS 124643-35-2 · C20H27F3O4S

01Identity

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

Lazychem IDLC-04503
PubChem CID14341818
NameAbiraterone Related Compound 2 (Prasterone Triflate)
CAS RN124643-35-2
Molecular formulaC20H27F3O4S
Molecular weight420.49 g/mol
IUPAC name(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl trifluoromethanesulfonate
InChIKeyDEKMGXMXUJFYPC-USOAJAOKSA-N

02Structure identifiers

2D structurePubChem CID 14341818
2D structure: Abiraterone Related Compound 2 (Prasterone Triflate), CAS 124643-35-2
Structure of Abiraterone Related Compound 2 (Prasterone Triflate) (CAS 124643-35-2). LazyChem record. Source identity: PubChem CID 14341818. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H27F3O4S
InChIKeyDEKMGXMXUJFYPC-USOAJAOKSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4OS(=O)(=O)C(F)(F)F)C)O
InChIInChI=1S/C20H27F3O4S/c1-18-9-7-13(24)11-12(18)3-4-14-15-5-6-17(19(15,2)10-8-16(14)18)27-28(25,26)20(21,22)23/h3,6,13-16,24H,4-5,7-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/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 124643-35-2 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 124643-35-2 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

  • 3β-Hydroxyandrosta-5,16-diene-17-yl trifluoromethanesulfonate

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