Chemical identity

Tibolone EP Impurity D

CAS 32297-45-3 · C21H28O2

01Identity

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

Lazychem IDLC-29570
PubChem CID16760228
NameTibolone EP Impurity D
CAS RN32297-45-3
Molecular formulaC21H28O2
Molecular weight312.45 g/mol
IUPAC name17-hydroxy-7β-methyl-19-nor-17α-pregn-5(10)-en-20-yn-3-one
InChIKeyWZDGZWOAQTVYBX-QXMGKFHVSA-N

02Structure identifiers

2D structurePubChem CID 16760228
2D structure: Tibolone EP Impurity D, CAS 32297-45-3
Structure of Tibolone EP Impurity D (CAS 32297-45-3). LazyChem record. Source identity: PubChem CID 16760228. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H28O2
InChIKeyWZDGZWOAQTVYBX-QXMGKFHVSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
InChIInChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17+,18-,19+,20-,21-/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 32297-45-3 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 32297-45-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Tibolone

View API and impurity family

Other names

  • (7S,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
  • 7Beta-Tibolone
  • 7?-Tibolone
  • NCGC00164632-01
  • 19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-7-methyl-, (7ss,17a)- (9CI)
  • 19-Nor-17a-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-7ss-methyl- (8CI)
  • 17-Hydroxy-7ss-methyl-19-nor-17a-pregn-5(10)-en-20-yn-3-one
  • 7-epi-Tibolone

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