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Substance Name: Doxorubicin-N-4-hydroxyphenoxyacetamide
RN: 131089-08-2
InChIKey: GNIACNJUQXXBPR-BPESXHNNSA-N

Molecular Formula

  • C35-H35-N-O14

Molecular Weight

  • 693.6545
 
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Names and Synonyms

Name of Substance

  • Doxorubicin-N-4-hydroxyphenoxyacetamide

Synonym

  • p-DPO

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(((4-hydroxyphenoxy)acetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 131089-08-2

System Generated Number

  • 0131089082

Structure Descriptors

InChI

1S/C35H35NO14/c1-15-30(41)20(36-24(40)14-48-17-8-6-16(38)7-9-17)10-25(49-15)50-22-12-35(46,23(39)13-37)11-19-27(22)34(45)29-28(32(19)43)31(42)18-4-3-5-21(47-2)26(18)33(29)44/h3-9,15,20,22,25,30,37-38,41,43,45-46H,10-14H2,1-2H3,(H,36,40)/t15-,20-,22-,25-,30+,35-/m0/s1

InChIKey

GNIACNJUQXXBPR-BPESXHNNSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)COc6ccc(O)cc6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO