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Substance Name: Paravallarinol
RN: 17083-11-3
InChIKey: JASSGIGGJMGBFO-QLPKIABKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Hormone

Molecular Formula

  • C22-H37-N-O2

Molecular Weight

  • 347.539
 
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Names and Synonyms

Name of Substance

  • Paravallarinol

Synonyms

  • (20S)-3-beta-N Methyl-amino-18,20-dihydroxypregna-5-ene
  • (20S)-3-beta-N Methyl-amino-18,20-dihydroxypregna-5-ene [French]
  • Paravallarinol
  • Pregn-5-ene-18,20-diol, 3-(methylamino)-, (3-beta,20S)-

Systematic Name

  • Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-

Registry Numbers

CAS Registry Number

  • 17083-11-3

System Generated Number

  • 0017083113

Structure Descriptors

InChI

1S/C22H37NO2/c1-14(25)18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24/h4,14,16-20,23-25H,5-13H2,1-3H3/t14-,16-,17+,18+,19-,20-,21-,22-/m0/s1

InChIKey

JASSGIGGJMGBFO-QLPKIABKSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)O)[C@@]4(CO)CC[C@H]3[C@@]2(C1)C)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Therapie. Vol. 25, Pg. 795, 1970.
mouse LD50 intravenous 67mg/kg (67mg/kg)   Therapie. Vol. 25, Pg. 795, 1970.
mouse LD50 oral 1150mg/kg (1150mg/kg)   Therapie. Vol. 25, Pg. 795, 1970.