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Substance Name: N-Butyryldaunorubicin
RN: 38942-41-5
InChIKey: CBBJXBKRCWMSIQ-WFIXBFCKSA-N

Molecular Formula

  • C31-H35-N-O11

Molecular Weight

  • 597.6135
 
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Names and Synonyms

Name of Substance

  • N-Butyryldaunorubicin

Synonym

  • NSC 140119

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38942-41-5

System Generated Number

  • 0038942415

Structure Descriptors

InChI

1S/C31H35NO11/c1-5-7-20(34)32-17-10-21(42-13(2)26(17)35)43-19-12-31(40,14(3)33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-8-6-9-18(41-4)22(15)29(25)38/h6,8-9,13,17,19,21,26,35,37,39-40H,5,7,10-12H2,1-4H3,(H,32,34)/t13-,17-,19-,21-,26+,31-/m0/s1

InChIKey

CBBJXBKRCWMSIQ-WFIXBFCKSA-N

Smiles

CCCC(=O)N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O