Chemical identity

Methyl 3-Oxo-4-Androsten-17-Carboxylate

CAS 2681-55-2 · C21H30O3

01Identity

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

Lazychem IDLC-19966
PubChem CID165014
NameMethyl 3-Oxo-4-Androsten-17-Carboxylate
CAS RN2681-55-2
Molecular formulaC21H30O3
Molecular weight330.47 g/mol
IUPAC name(8S,9S,10R,13S,14S,17S)-methyl 10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
InChIKeyXWFWMYFLNHTEBF-YFWFAHHUSA-N

02Structure identifiers

2D structurePubChem CID 165014
Two-dimensional chemical structure of Methyl 3-Oxo-4-Androsten-17-Carboxylate, CAS 2681-55-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4=CC(=O)CC[C@]34C
InChINot listed
Formula from structureC21H30O3
Molecular weight from structure330.47 g/mol

03Stereochemistry

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

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
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 / RCSNO EXACT MATCH FOUNDCAS 2681-55-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2681-55-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Anecortave

View API and impurity family

Other names

  • Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
  • 2681-55-2
  • Androst-4-ene-17-carboxylic acid, 3-oxo-, methyl ester, (17beta)-
  • RefChem:1089164
  • 608-002-9
  • Methyl 3-oxo-4-androstene-17beta-carboxylate
  • methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
  • CHEMBL3349078
  • MFCD00200877
  • methyl 3-oxo-4-androstene-17
  • A-carboxylate
  • Dutasteride Impurity 31

Related records from the same parent family

No related records are linked by parent name.

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