化学标识

17β-Hydroxyprogesterone

CAS 604-09-1 · C21H30O3

01化学标识

Lazychem IDLC-04267
CAS RN604-09-1
PubChem CID101793
Molecular formulaC21H30O3
Molecular weight330.46 g/mol
IUPAC name(8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
InChIKeyDBPWSSGDRRHUNT-SJFWLOONSA-N

02结构与立体化学

2D structurePubChem CID 101793
Two-dimensional chemical structure of 17β-Hydroxyprogesterone, CAS 604-09-1
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
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
InChI未列出

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

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.

04印度监管状态

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05名称与关联

原料药与母体药物

Progesterone

杂质与相关化合物

名称与关联

  • 17beta-Hydroxyprogesterone
  • 604-09-1
  • EINECS 210-062-2
  • RefChem:79293
  • (8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • 17alpha-Hydroxypregn-4-ene-320-dione
  • 17b-Hydroxyprogesterone
  • (8S,9S,10R,13S,14R,17R)-17-Acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
  • SCHEMBL265609
  • MSK2280
  • DTXSID001313711
  • MSK2280-100A

杂质与相关化合物

06来源