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Substance Name: SC 27169
RN: 41020-87-5
InChIKey: JULIFJIGKNOMBA-NXNOOSFXSA-M

Note

  • Spironolactone analog.

Molecular Formula

  • C26-H38-O6.K

Molecular Weight

  • 484.67
 
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Names and Synonyms

Name of Substance

  • SC 27169

Synonyms

  • 17-Hydroxy-3-oxo-17alpha-pregn-4-ene-7alpha,21-dicarboxylic acid, 7-(1-methylethyl) ester, monopotassium salt
  • OH Opc(ME)-K
  • SC-27169

Systematic Name

  • Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-(1-methylethyl) ester, monopotassium salt, (7alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 41020-87-5

System Generated Number

  • 0041020875

Molecular Formulas

Molecular Formula

  • C26-H38-O6.K

Molecular Formula Fragments

  • C26-H38-O6
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C26H38O6.K/c1-15(2)26(22(30)31)14-16-13-17(27)5-9-23(16,3)18-6-10-24(4)19(21(18)26)7-11-25(24,32)12-8-20(28)29;/h13,15,18-19,21,32H,5-12,14H2,1-4H3,(H,28,29)(H,30,31);/q;+1/p-1/t18?,19?,21?,23-,24-,25+,26-;/m0./s1

InChIKey

JULIFJIGKNOMBA-NXNOOSFXSA-M

Smiles

[K+].C1(CC[C@@]2([C@@H]3CC[C@@]4([C@@](CC[C@@H]4[C@@H]3[C@@](CC2=C1)(C(=O)[O-])C(C)C)(CCC(=O)O)O)C)C)=O