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Substance Name: Adriamycin 14-benzoate
RN: 59367-03-2
InChIKey: PCSBRUOROMKFCU-UQJCYSKFSA-N

Molecular Formula

  • C34-H33-N-O12

Molecular Weight

  • 647.6297
 
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Names and Synonyms

Results Name

  • Adriamycin 14-benzoate

Synonyms

  • (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((benzoyloxy)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
  • Adriamycin 14-benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59367-03-2

System Generated Number

  • 0059367032

Structure Descriptors

InChI

1S/C34H33NO12/c1-15-28(37)19(35)11-23(46-15)47-21-13-34(43,22(36)14-45-33(42)16-7-4-3-5-8-16)12-18-25(21)32(41)27-26(30(18)39)29(38)17-9-6-10-20(44-2)24(17)31(27)40/h3-10,15,19,21,23,28,37,39,41,43H,11-14,35H2,1-2H3/t15-,19-,21-,23-,28+,34-/m0/s1

InChIKey

PCSBRUOROMKFCU-UQJCYSKFSA-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)COC(=O)c6ccccc6