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Substance Name: N-(3-(Ethoxycarbonyl)propyl)daunorubicin
RN: 103620-83-3
InChIKey: FQEDBWOXQXTLMN-PLKJNFEUSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H39-N-O12

Molecular Weight

  • 641.6661
 
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Names and Synonyms

Results Name

  • N-(3-(Ethoxycarbonyl)propyl)daunorubicin

Synonyms

  • BRN 6040741
  • N-(3-(Ethoxycarbonyl)propyl)daunorubicin

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((4-ethoxy-4-oxobutyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 103620-83-3

System Generated Number

  • 0103620833

Structure Descriptors

InChI

1S/C33H39NO12/c1-5-44-22(36)10-7-11-34-19-12-23(45-15(2)28(19)37)46-21-14-33(42,16(3)35)13-18-25(21)32(41)27-26(30(18)39)29(38)17-8-6-9-20(43-4)24(17)31(27)40/h6,8-9,15,19,21,23,28,34,37,39,41-42H,5,7,10-14H2,1-4H3/t15-,19-,21-,23-,28+,33-/m0/s1

InChIKey

FQEDBWOXQXTLMN-PLKJNFEUSA-N

Smiles

CCOC(=O)CCCN[C@H]1C[C@H](O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)C)O[C@@H](C)[C@H]1O