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Substance Name: Pregn-4-ene-3,20-dione, 11-beta,21-dihydroxy-, 21-sodium salt, hemisuccinate
RN: 18843-27-1
InChIKey: ZVGAMAIUOZXIOQ-BSCVRACISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-O4.Na.1/2C4-H6-O4

Molecular Weight

  • 468.519
 
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Names and Synonyms

Synonym

  • 11-beta,21-Dihydroxy-21-sodium-pregn-4-ene-3,20-dione, hemisuccinate

Systematic Name

  • Pregn-4-ene-3,20-dione, 11-beta,21-dihydroxy-, 21-sodium salt, hemisuccinate

Registry Numbers

CAS Registry Number

  • 18843-27-1

System Generated Number

  • 0018843271

Molecular Formulas

Molecular Formula

  • C21-H29-O4.Na.1/2C4-H6-O4

Molecular Formula Fragments

  • C21-H29-O4
  • C4-H6-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H34O7.Na/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30;/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30);/q;+1/p-1/t16?,17?,18-,19+,23?,24+,25+;/m1./s1

InChIKey

ZVGAMAIUOZXIOQ-BSCVRACISA-M

Smiles

[Na+].C1(CC[C@@]2([C@@H]3[C@H](C[C@@]4([C@H](CC[C@@H]4[C@@H]3CCC2=C1)C(COC(CCC(=O)[O-])=O)=O)C)O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1280mg/kg (1280mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968.