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Substance Name: N-Acetyldoxorubicin hydrochloride
RN: 73068-97-0
InChIKey: PDHLROKTZQEQQU-UHFFFAOYSA-N

Molecular Formula

  • C29-H31-N-O12.Cl-H

Molecular Weight

  • 622.02
 
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Names and Synonyms

Results Name

  • N-Acetyldoxorubicin hydrochloride

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73068-97-0

System Generated Number

  • 0073068970

Molecular Formulas

Molecular Formula

  • C29-H31-N-O12.Cl-H

Molecular Formula Fragments

  • C29-H31-N-O12
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H31NO12.ClH/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37;/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32);1H

InChIKey

PDHLROKTZQEQQU-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@H]([C@@H](O[C@@H]1O[C@@H]1c2c(O)c3C(c4c(cccc4C(=O)c3c(O)c2C[C@@](C1)(C(=O)CO)O)OC)=O)C)O)NC(C)=O.Cl