Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4'-O-Methyldoxorubicin
RN: 77121-90-5
InChIKey: TUEYGBZZQFXBOS-PODHPLMESA-N

Molecular Formula

  • C28-H31-N-O11

Molecular Weight

  • 557.5489
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 4'-O-Methyldoxorubicin

Synonyms

  • CCRIS 1432
  • NSC 301477

Systematic Names

  • 3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-naphthacenyl 3-amino-2,3,6-trideoxy-4-O-methylhexopyranoside
  • 4'-O-Methyldoxorubicin
  • 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-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 77121-90-5

System Generated Number

  • 0077121905

Structure Descriptors

InChI

1S/C28H31NO11/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/t11-,14-,16-,18-,27+,28-/m0/s1

InChIKey

TUEYGBZZQFXBOS-PODHPLMESA-N

Smiles

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