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Substance Name: Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-, maleate
RN: 102586-31-2
InChIKey: RIIFFSHBAJDVDY-WOLVGJDKSA-N

Molecular Formula

  • C22-H37-N-O2.C4-H4-O4

Molecular Weight

  • 463.6109
 
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Names and Synonyms

Synonyms

  • 18,20-Dihydroxy-3-beta-methylaminopregn-5-ene maleate
  • 3-beta-Methylaminopregn-5-ene-18,20-diol maleate
  • Paravallarinol maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102586-31-2

System Generated Number

  • 0102586312

Molecular Formulas

Molecular Formula

  • C22-H37-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C22-H37-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H37NO2.C4H4O4/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;5-3(6)1-2-4(7)8/h4,14,16-20,23-25H,5-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17+,18+,19-,20-,21-,22-;/m0./s1

InChIKey

RIIFFSHBAJDVDY-WOLVGJDKSA-N

Smiles

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)NC)C)CO)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.
mouse LD50 intravenous 50mg/kg (50mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.
mouse LD50 oral 1300mg/kg (1300mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 129, 1970.