Chemical identity

7-Keto Abiraterone Acetate

CAS 2410075-48-6 · C26H31NO3

01Identity

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

Lazychem IDLC-03929
PubChem CID139210866
Name7-Keto Abiraterone Acetate
CAS RN2410075-48-6
Molecular formulaC26H31NO3
Molecular weight405.53 g/mol
IUPAC name(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-7-oxo-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl Acetate
InChIKeyFQBUSWIVMLHLIY-HMMDQRRVSA-N

02Structure identifiers

2D structurePubChem CID 139210866
2D structure: 7-Keto Abiraterone Acetate, CAS 2410075-48-6
Structure of 7-Keto Abiraterone Acetate (CAS 2410075-48-6). LazyChem record. Source identity: PubChem CID 139210866. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC26H31NO3
InChIKeyFQBUSWIVMLHLIY-HMMDQRRVSA-N
Ring count5
Defined stereocentres6
Unassigned stereocentres0
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CC=C4C5=CN=CC=C5)C)C
InChIInChI=1S/C26H31NO3/c1-16(28)30-19-8-10-25(2)18(13-19)14-23(29)24-21-7-6-20(17-5-4-12-27-15-17)26(21,3)11-9-22(24)25/h4-6,12,14-15,19,21-22,24H,7-11,13H2,1-3H3/t19-,21-,22-,24-,25-,26+/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 2410075-48-6 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 2410075-48-6 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

No synonyms are listed.

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