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Substance Name: N,N-Dibenzyldaunorubicin
RN: 80951-48-0
InChIKey: VUEZAPSQNPGLMR-KKAFLJDPSA-N

Molecular Formula

  • C41-H41-N-O10

Molecular Weight

  • 707.7719
 
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Names and Synonyms

Name of Substance

  • N,N-Dibenzyldaunorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80951-48-0

System Generated Number

  • 0080951480

Structure Descriptors

InChI

1S/C41H41NO10/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3/t22-,28-,30-,31-,36-,41-/m0/s1

InChIKey

VUEZAPSQNPGLMR-KKAFLJDPSA-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)C)O)N(Cc6ccccc6)Cc7ccccc7)O