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Substance Name: N,N-Dibenzyldaunorubicin hydrochloride
RN: 70878-51-2
InChIKey: CFPUQMKLKLOWBL-OJWBPHNRSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C41-H41-N-O10.Cl-H

Molecular Weight

  • 744.233
 
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Names and Synonyms

Results Name

  • N,N-Dibenzyldaunorubicin hydrochloride

Synonyms

  • N,N-Dibenzyldaunomycin hydrochloride
  • N,N-Dibenzyldaunorubicin hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70878-51-2

System Generated Number

  • 0070878512

Molecular Formulas

Molecular Formula

  • C41-H41-N-O10.Cl-H

Molecular Formula Fragments

  • C41-H41-N-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C41H41NO10.ClH/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;1H/t22-,28-,30-,31-,36+,41-;/m0./s1

InChIKey

CFPUQMKLKLOWBL-OJWBPHNRSA-N

Smiles

Cl.c1(ccccc1)CN([C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]1c2c(c3C(c4c(OC)cccc4C(c3c(c2C[C@@](C1)(O)C(C)=O)O)=O)=O)O)Cc1ccccc1