Chemical identity

Hydroxyprogesterone Caproate Inhouse impurity B / Hydroxyprogesterone Caproate

CAS 630-56-8 · C27H40O4

01Identity

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

Lazychem IDLC-16789
PubChem CID3653
NameHydroxyprogesterone Caproate Inhouse impurity B / Hydroxyprogesterone Caproate
CAS RN630-56-8
Molecular formulaC27H40O4
Molecular weight428.6 g/mol
IUPAC name(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl hexanoate
InChIKeyDOMWKUIIPQCAJU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 3653
2D structure: Hydroxyprogesterone Caproate Inhouse impurity B / Hydroxyprogesterone Caproate, CAS 630-56-8
Structure of Hydroxyprogesterone Caproate Inhouse impurity B / Hydroxyprogesterone Caproate (CAS 630-56-8). LazyChem record. Source identity: PubChem CID 3653. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC27H40O4
InChIKeyDOMWKUIIPQCAJU-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres6
SMILESCCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C
InChIInChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres62D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 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 630-56-8 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 630-56-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Hydroxyprogesterone Caproate

View API and impurity family

Other names

  • Hydroxyprogesterone Caproate
  • Hydroxyprogesterone Caproate Inhouse impurity B
  • 17-alpha-Hydroxy Progesterone Caproate
  • 17α-Hydroxyprogesterone caproate
  • Delalutin
  • Hydroxyprogesterone hexanoate
  • Proge

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