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Substance Name: Ecabet sodium pentahydrate
RN: 219773-47-4
UNII: 4DIV854Y8H
InChIKey: OWUMMAIYWPECON-HITVYADUSA-M

Molecular Weight

  • 492.5583
 
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Names and Synonyms

Name of Substance

  • Ecabet sodium pentahydrate

Synonyms

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, monosodium salt, pentahydrate, (1R,4aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, sodium salt, hydrate (1:1:5), (1R,4aS,10aR)-
  • Ecabet sodium hydrate [JAN]
  • Ecabet sodium pentahydrate
  • UNII-4DIV854Y8H

Registry Numbers

CAS Registry Number

  • 219773-47-4

FDA UNII

  • 4DIV854Y8H

System Generated Number

  • 0219773474

Structure Descriptors

InChI

1S/C20H28O5S.Na.5H2O/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;;;;;;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);;5*1H2/q;+1;;;;;/p-1/t17-,19-,20-;;;;;;/m1....../s1

InChIKey

OWUMMAIYWPECON-HITVYADUSA-M

Smiles

CC(C)c1cc2c(cc1S(=O)(=O)[O-])[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C.O.O.O.O.O.[Na+]