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Substance Name: 14-Carminomycyl-N-pyridinium
RN: 108936-91-0
InChIKey: HOGZQUMZIYVPAR-UHFFFAOYSA-N

Molecular Formula

  • C31-H31-N2-O10.Br

Molecular Weight

  • 671.494
 
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Names and Synonyms

Name of Substance

  • 14-Carminomycyl-N-pyridinium

Synonym

  • 14-Carminomycyl-N-pyridinium bromide

Systematic Name

  • Pyridinium, 1-(2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl)-, bromide, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 108936-91-0

System Generated Number

  • 0108936910

Molecular Formulas

Molecular Formula

  • C31-H31-N2-O10.Br

Molecular Formula Fragments

  • Br
  • C31-H31-N2-O10
  • COMPONENT

Structure Descriptors

InChI

1S/C31H30N2O10.BrH/c1-14-26(36)17(32)10-21(42-14)43-19-12-31(41,20(35)13-33-8-3-2-4-9-33)11-16-23(19)30(40)25-24(28(16)38)27(37)15-6-5-7-18(34)22(15)29(25)39;/h2-9,14,17,19,21,26,36,41H,10-13,32H2,1H3,(H2-,34,37,38,39,40);1H

InChIKey

HOGZQUMZIYVPAR-UHFFFAOYSA-N

Smiles

[BrH-].[n+]1(ccccc1)CC([C@@]1(C[C@@H](c2c(c3C(=O)c4c(O)cccc4C(c3c(c2C1)O)=O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)N)O)C)O)=O