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Substance Name: SYN 1396
RN: 217199-34-3
InChIKey: FFADVLQTAYEJGZ-YLIJTCMOSA-M

Molecular Formula

  • C20-H27-N3-O7-S.Na

Molecular Weight

  • 475.4954
 
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Names and Synonyms

Name of Substance

  • SYN 1396

Synonyms

  • SYN 1396
  • Syn-1396

Systematic Name

  • 1-Piperazinecarboxylic acid, 4-(((6''R,7''S)-7''-methoxy-3''-methyl-5'',5''-dioxido-8''-oxodispiro(cyclopentane-1,1'-cyclopropane-2',4''-(5)thia(1)azabicyclo(4.2.0)oct(2)en)-2''-yl)carbonyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 217199-34-3

System Generated Number

  • 0217199343

Molecular Formulas

Molecular Formula

  • C20-H27-N3-O7-S.Na

Molecular Formula Fragments

  • C20-H27-N3-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H27N3O7S.Na/c1-12-13(15(24)21-7-9-22(10-8-21)18(26)27)23-16(25)14(30-2)17(23)31(28,29)20(12)11-19(20)5-3-4-6-19;/h14,17H,3-11H2,1-2H3,(H,26,27);/q;+1/p-1/t14-,17+,20?;/m0./s1

InChIKey

FFADVLQTAYEJGZ-YLIJTCMOSA-M

Smiles

[Na+].CO[C@@H]1[C@@H]2N(C1=O)C(=C(C)C3(CC34CCCC4)S2(=O)=O)C(=O)N5CCN(CC5)C(=O)[O-]