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Substance Name: Androst-5-ene-3-beta,17-beta-diol, 17-methyl-, 3-phthalate, monosodium salt
RN: 101831-48-5
InChIKey: GBPGOSIRPMHJOU-GNOFCLANSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H36-O5.Na

Molecular Weight

  • 474.569
 
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Names and Synonyms

Synonyms

  • 17-Methyl-androst-5-ene-3-beta,17-beta-diol 3-phthalate sodium salt
  • REC 5-0022
  • Sale sodico dell'estere emiftalico del metilandrostenediolo
  • Sale sodico dell'estere emiftalico del metilandrostenediolo [Italian]

Systematic Name

  • Androst-5-ene-3-beta,17-beta-diol, 17-methyl-, 3-phthalate, monosodium salt

Registry Numbers

CAS Registry Number

  • 101831-48-5

System Generated Number

  • 0101831485

Molecular Formulas

Molecular Formula

  • C28-H36-O5.Na

Molecular Formula Fragments

  • C28-H36-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H36O5.Na/c1-26-13-10-18(33-25(31)20-7-5-4-6-19(20)24(29)30)16-17(26)8-9-21-22(26)11-14-27(2)23(21)12-15-28(27,3)32;/h4-8,18,21-23,32H,9-16H2,1-3H3,(H,29,30);/q;+1/p-1/t18-,21+,22-,23-,26-,27-,28-;/m0./s1

InChIKey

GBPGOSIRPMHJOU-GNOFCLANSA-M

Smiles

C1[C@@H]2[C@@H]([C@@]3(C(C[C@@H](OC(c4c(cccc4)C(=O)[O-])=O)CC3)=C1)C)CC[C@@]1([C@H]2CC[C@]1(C)O)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   Farmaco, Edizione Scientifica. Vol. 14, Pg. 200, 1959.