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Substance Name: N-Isopropyldaunorubicin hydrochloride
RN: 70844-07-4
InChIKey: IADHBFAQBJCNGN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C30-H35-N-O10.Cl-H

Molecular Weight

  • 606.064
 
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Names and Synonyms

Results Name

  • N-Isopropyldaunorubicin hydrochloride

Synonyms

  • N-Isopropyldaunorubicin HCl
  • N-Isopropyldaunorubicin hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70844-07-4

System Generated Number

  • 0070844074

Molecular Formulas

Molecular Formula

  • C30-H35-N-O10.Cl-H

Molecular Formula Fragments

  • C30-H35-N-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H35NO10.ClH/c1-12(2)31-17-9-20(40-13(3)25(17)33)41-19-11-30(38,14(4)32)10-16-22(19)29(37)24-23(27(16)35)26(34)15-7-6-8-18(39-5)21(15)28(24)36;/h6-8,12-13,17,19-20,25,31,33,35,37-38H,9-11H2,1-5H3;1H

InChIKey

IADHBFAQBJCNGN-UHFFFAOYSA-N

Smiles

Cl.C1[C@@H]([C@@H]([C@@H](C)O[C@@H]1O[C@@H]1c2c(C[C@@](C1)(O)C(C)=O)c(O)c1C(=O)c3cccc(c3C(=O)c1c2O)OC)O)NC(C)C