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Substance Name: 10-((1-Carboxy-2-methylpropylidene)amino)-9-hydroxy-2-methylellipticinium
RN: 89683-26-1
InChIKey: RHYPLJPVNIHGFM-LKUDQCMESA-O

Classification Code

  • Mutation Data

Molecular Formula

  • C23-H24-N3-O3

Molecular Weight

  • 390.461
 
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Names and Synonyms

Name of Substance

  • 10-((1-Carboxy-2-methylpropylidene)amino)-9-hydroxy-2-methylellipticinium

Synonyms

  • 10-((1-Carboxy-2-methylpropylidene)amino)-9-hydroxy-2-methylellipticinium
  • Val-NMHE

Systematic Name

  • 6H-Pyrido(4,3-b)carbazolium, 10-((1-carboxy-2-methylpropylidene)amino)-9-hydroxy-2,5,11-trimethyl-

Registry Numbers

CAS Registry Number

  • 89683-26-1

Related Registry Number

  • 89683-27-2 (acetate salt)

System Generated Number

  • 0089683261

Structure Descriptors

InChI

1S/C23H23N3O3/c1-11(2)20(23(28)29)25-22-17(27)7-6-16-19(22)18-12(3)15-10-26(5)9-8-14(15)13(4)21(18)24-16/h6-11H,1-5H3,(H2,27,28,29)/p+1/b25-20+

InChIKey

RHYPLJPVNIHGFM-LKUDQCMESA-O

Smiles

[nH]1c2c(c3c(c(c2c2c(c(ccc12)O)\N=C(/C(C)C)C(=O)O)C)c[n+](cc3)C)C