Chemical identity

Norgestimate EP Impurity D / (Z)-Norelgestromin / 17-Desacetyl (Z)-Norgestimate

CAS 74183-54-3 · C21H29NO2

01Identity

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

Lazychem IDLC-23747
PubChem CID6537152
NameNorgestimate EP Impurity D / (Z)-Norelgestromin / 17-Desacetyl (Z)-Norgestimate
CAS RN74183-54-3
Molecular formulaC21H29NO2
Molecular weight327.46 g/mol
IUPAC name(3Z)-13β-Ethyl-3-(hydroxyimino)-18,19-dinor-17α-pregn-4-en-20-yn-17-ol
InChIKeyISHXLNHNDMZNMC-UGCMNZCRSA-N

02Structure identifiers

2D structurePubChem CID 6537152
2D structure: Norgestimate EP Impurity D / (Z)-Norelgestromin / 17-Desacetyl (Z)-Norgestimate, CAS 74183-54-3
Structure of Norgestimate EP Impurity D / (Z)-Norelgestromin / 17-Desacetyl (Z)-Norgestimate (CAS 74183-54-3). LazyChem record. Source identity: PubChem CID 6537152. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H29NO2
InChIKeyISHXLNHNDMZNMC-UGCMNZCRSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34
InChIInChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-/t16-,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

3 records

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.

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 74183-54-3 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 74183-54-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Norgestimate

View API and impurity family

Other names

  • Norgestimate EP Impurity D
  • (Z)-Norelgestromin / 17-Desacetyl (Z)-Norgestimate
  • Norelgestromin, (Z)-
  • syn-Norelgestromin
  • (Z)-17-Deacetylnorgestimate
  • ((Z)-Norelgestromin)
  • 17-Deacetylnorgestimate, (Z)-
  • NORGESTIMATE IMPURITY D [EP IMPURITY]
  • (3Z)-13beta-Ethyl-3-(hydroxyimino)-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol
  • 18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-17-HYDROXY-, OXIME, (3Z,17.ALPHA.)-

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