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Substance Name: 4'-O-Methyldoxorubicin hydrochloride
RN: 68102-51-2
InChIKey: CFNNQMITBJHXJU-AILMMDSNSA-N

Molecular Formula

  • C28-H31-N-O11.Cl-H

Molecular Weight

  • 594.0098
 
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Names and Synonyms

Results Name

  • 4'-O-Methyldoxorubicin hydrochloride

Synonyms

  • 10-((3-Amino-2,3,6-trideoxy-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, (8S-cis)-
  • 4'-O-Methyldoxorubicin hydrochloride

Systematic Name

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-methyl-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

  • 68102-51-2

System Generated Number

  • 0068102512

Molecular Formulas

Molecular Formula

  • C28-H31-N-O11.Cl-H

Molecular Formula Fragments

  • C28-H31-N-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31NO11.ClH/c1-11-27(38-3)14(29)7-18(39-11)40-16-9-28(36,17(31)10-30)8-13-20(16)26(35)22-21(24(13)33)23(32)12-5-4-6-15(37-2)19(12)25(22)34;/h4-6,11,14,16,18,27,30,33,35-36H,7-10,29H2,1-3H3;1H/t11-,14-,16-,18-,27+,28-;/m0./s1

InChIKey

CFNNQMITBJHXJU-AILMMDSNSA-N

Smiles

Cl.CO[C@H]1[C@@H](N)C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@H]1C