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Substance Name: Allopregnane-3beta,17alpha,21-triol-20-one
RN: 516-47-2
UNII: B2U92ZJ86E
InChIKey: UPTAPIKFKZGAGM-NWIHUDFTSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C21-H34-O4

Molecular Weight

  • 350.4956
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3beta,17alpha,21-triol-20-one

Synonyms

  • 3beta,17alpha,21-Trihydroxy-5alpha-pregnan-20-one
  • Compound P
  • Reichstein's Substance P
  • UNII-B2U92ZJ86E

Systematic Names

  • 5-alpha-Pregnan-20-one, 3-beta,17,21-trihydroxy- (8CI)
  • Pregnan-20-one, 3,17,21-trihydroxy-, (3-beta,5-alpha)- (9CI)
  • Substance P (steroid)

Registry Numbers

CAS Registry Number

  • 516-47-2

FDA UNII

  • B2U92ZJ86E

System Generated Number

  • 0000516472

Structure Descriptors

InChI

1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1

InChIKey

UPTAPIKFKZGAGM-NWIHUDFTSA-N

Smiles

C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO