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Substance Name: 4'-epi-Adriamycin
RN: 57819-80-4
InChIKey: MWWSFMDVAYGXBV-UAOJCOQHSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C27-H29-N-O11.Cl-H

Molecular Weight

  • 579.983
 
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Names and Synonyms

Results Name

  • 4'-epi-Adriamycin

Synonym

  • 4'-epi-Adriamycin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57819-80-4

System Generated Number

  • 0057819804

Molecular Formulas

Molecular Formula

  • C27-H29-N-O11.Cl-H

Molecular Formula Fragments

  • C27-H29-N-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17+,22-,27-;/m0./s1

InChIKey

MWWSFMDVAYGXBV-UAOJCOQHSA-N

Smiles

C[C@H]1[C@@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O.Cl