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Substance Name: Megosin
RN: 72432-85-0
InChIKey: YANOCRZYCSVAJV-MROCHPEUSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C34-H40-S2.2Na

Molecular Weight

  • 810.802
 
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Names and Synonyms

Name of Substance

  • Megosin

Synonym

  • Megosine

Systematic Name

  • Megosin

Registry Numbers

CAS Registry Number

  • 72432-85-0

System Generated Number

  • 0072432850

Molecular Formulas

Molecular Formula

  • C34-H40-S2.2Na

Molecular Formula Fragments

  • C34-H40-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H40N2O14S2.2Na/c1-15(2)23-19-11-17(5)25(31(39)27(19)21(29(37)33(23)41)13-35-7-9-49-51(43,44)45)26-18(6)12-20-24(16(3)4)34(42)30(38)22(28(20)32(26)40)14-36-8-10-50-52(46,47)48;;/h11-16,35-36,39-42H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/b21-13-,22-14-;;

InChIKey

YANOCRZYCSVAJV-MROCHPEUSA-N

Smiles

S(OCCN\C=C1\c2c(c(c3c(C)cc4C(=C(C(\C(c4c3O)=C/NCCOS(O)(=O)=O)=O)O)C(C)C)c(cc2C(=C(C1=O)O)C(C)C)C)O)(=O)(=O)O.[Na+].[Na+]