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Substance Name: 4-Demethyl-6-O-methyldoxorubicin
RN: 97777-78-1
InChIKey: LAJAGOZPADGZRF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H29-N-O11

Molecular Weight

  • 543.522
 
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Names and Synonyms

Name of Substance

  • 4-Demethyl-6-O-methyldoxorubicin

Synonym

  • 4-Demethyl-6-O-methyldoxorubicin

Systematic Names

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8-trihydroxy-8-(hydroxyacetyl)-11-methoxy-, (8S-cis)-
  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-7,8,9,10-tetrahydro-11-methoxy-1,6,8-trihydroxy-

Registry Numbers

CAS Registry Number

  • 97777-78-1

System Generated Number

  • 0097777781

Structure Descriptors

InChI

1S/C27H29NO11/c1-10-21(32)13(28)8-16(38-10)39-26-18-12(6-7-27(26,36)15(31)9-29)23(34)19-20(25(18)37-2)24(35)17-11(22(19)33)4-3-5-14(17)30/h3-5,10,13,16,21,26,29-30,32,34,36H,6-9,28H2,1-2H3

InChIKey

LAJAGOZPADGZRF-UHFFFAOYSA-N

Smiles

O1[C@@H](O[C@@H]2c3c(c(c4c(c3OC)C(c3c(C4=O)cccc3O)=O)O)CC[C@@]2(C(=O)CO)O)C[C@@H](N)[C@@H](O)[C@@H]1C