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Substance Name: Doxorubicin citrate
RN: 111266-55-8
UNII: AJQ2ZNG2WL
InChIKey: INEKNBHAPBIAFK-RUELKSSGSA-N

Note

  • Antineoplastic antibiotic obtained from Streptomyces peucetius. It is a hydroxy derivative of DAUNORUBICIN.

Molecular Formula

  • C27-H29-N-O11.x-C6-H8-O7

Molecular Weight

  • 735.6443
 
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Names and Synonyms

Results Name

  • Doxorubicin citrate

Name of Substance

  • Doxorubicin citrate

Synonyms

  • Doxorubicin citrate
  • Myocet
  • UNII-AJQ2ZNG2WL

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111266-55-8

FDA UNII

  • AJQ2ZNG2WL

System Generated Number

  • 0111266558

Molecular Formulas

Molecular Formula

  • C27-H29-N-O11.x-C6-H8-O7

Molecular Formula Fragments

  • C27-H29-N-O11
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29NO11.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,13-,15-,17-,22+,27-;/m0./s1

InChIKey

INEKNBHAPBIAFK-RUELKSSGSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.OC(=O)CC(O)(CC(=O)O)C(=O)O