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Substance Name: 4 O-Daunosaminyl-2,4,5,12-tetrahydroxy-2-nonanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione
RN: 109485-63-4
InChIKey: HHEARFGBTJAFSA-UHFFFAOYSA-N

Molecular Formula

  • C33-H41-N-O9.Cl-H

Molecular Weight

  • 632.146
 
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Names and Synonyms

Name of Substance

  • 4 O-Daunosaminyl-2,4,5,12-tetrahydroxy-2-nonanoyl-1,2,3,4-tetrahydro-6,11-naphthacenedione

Synonyms

  • 7-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(1-oxononyl)-5,12-naphthacenedione hydrochloride, (7S-cis)-
  • DATNN

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 109485-63-4

System Generated Number

  • 0109485634

Molecular Formulas

Molecular Formula

  • C33-H41-N-O9.Cl-H

Molecular Formula Fragments

  • C33-H41-N-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H41NO9.ClH/c1-3-4-5-6-7-8-13-23(35)33(41)15-20-25(22(16-33)43-24-14-21(34)28(36)17(2)42-24)32(40)27-26(31(20)39)29(37)18-11-9-10-12-19(18)30(27)38;/h9-12,17,21-22,24,28,36,39-41H,3-8,13-16,34H2,1-2H3;1H

InChIKey

HHEARFGBTJAFSA-UHFFFAOYSA-N

Smiles

N[C@@H]1C[C@@H](O[C@@H]([C@@H]1O)C)O[C@@H]1c2c(O)c3C(=O)c4ccccc4C(=O)c3c(c2C[C@@](C1)(O)C(CCCCCCCC)=O)O.Cl