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Substance Name: Sodium (1)-7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,S-dioxide
RN: 54317-11-2
InChIKey: ZLBSUOGMZDXYKE-UHFFFAOYSA-M

Molecular Formula

  • C21-H25-Cl-N2-O4-S.Na

Molecular Weight

  • 458.9396
 
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Names and Synonyms

Synonym

  • EINECS 259-091-2

Systematic Name

  • Sodium (1)-7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,S-dioxide

Registry Numbers

CAS Registry Number

  • 54317-11-2

System Generated Number

  • 0054317112

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O4-S.Na

Molecular Formula Fragments

  • C21-H25-Cl-N2-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H25ClN2O4S.Na/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);/q;+1/p-1

InChIKey

ZLBSUOGMZDXYKE-UHFFFAOYSA-M

Smiles

CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)[O-].[Na+]