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Substance Name: N-Benzyldaunomycin hydrochloride
RN: 70844-04-1
InChIKey: RKGNDSFRLOMNJV-CKQCRWPSSA-N

Classification Code

  • Mutation Data

Molecular Formulas

  • C34-H35-N-O10.Cl-H
  • C34-H35-N-O10.Cl-H.H2-O

Molecular Weight

  • 654.1084
 
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Names and Synonyms

Results Name

  • N-Benzyldaunomycin hydrochloride

Synonyms

  • N-Benzyldaunomycin HCl
  • N-Benzyldaunomycin hydrochloride
  • N-Benzyldaunorubicin hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70844-04-1

System Generated Number

  • 0070844041

Molecular Formulas

Molecular Formulas

  • C34-H35-N-O10.Cl-H
  • C34-H35-N-O10.Cl-H.H2-O

Molecular Formula Fragments

  • C34-H35-N-O10
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C34H35NO10.ClH/c1-16-29(37)21(35-15-18-8-5-4-6-9-18)12-24(44-16)45-23-14-34(42,17(2)36)13-20-26(23)33(41)28-27(31(20)39)30(38)19-10-7-11-22(43-3)25(19)32(28)40;/h4-11,16,21,23-24,29,35,37,39,41-42H,12-15H2,1-3H3;1H/t16-,21-,23-,24-,29+,34-;/m0./s1

InChIKey

RKGNDSFRLOMNJV-CKQCRWPSSA-N

Smiles

Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NCc6ccccc6)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C