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Substance Name: 14-O-Acetyldoxorubicin
RN: 30489-04-4
InChIKey: BLBUCDKAANQBPH-OMLYRYIZSA-N

Molecular Formula

  • C29-H31-N-O12

Molecular Weight

  • 585.5589
 
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Names and Synonyms

Name of Substance

  • 14-O-Acetyldoxorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 30489-04-4

System Generated Number

  • 0030489044

Structure Descriptors

InChI

1S/C29H31NO12/c1-11-24(33)15(30)7-19(41-11)42-17-9-29(38,18(32)10-40-12(2)31)8-14-21(17)28(37)23-22(26(14)35)25(34)13-5-4-6-16(39-3)20(13)27(23)36/h4-6,11,15,17,19,24,33,35,37-38H,7-10,30H2,1-3H3/t11-,15-,17-,19-,24+,29-/m0/s1

InChIKey

BLBUCDKAANQBPH-OMLYRYIZSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)COC(=O)C)O)N)O