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Substance Name: Daunosamnyl-daunorubicin
RN: 28008-54-0
InChIKey: HCMSUFXIFYKIOL-RPYJURNCSA-N

Molecular Formula

  • C33-H40-N2-O12

Molecular Weight

  • 656.681
 
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Names and Synonyms

Results Name

  • Daunosamnyl-daunorubicin

Synonyms

  • (1S,3S)-alpha-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-L-lyxo-hexopyranoside
  • Daunosamnyl - daunorubicin

Systematic Name

  • L-lyxo-Hexopyranoside, 3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-, (1S,3S)-alpha-

Registry Numbers

CAS Registry Number

  • 28008-54-0

System Generated Number

  • 0028008540

Structure Descriptors

InChI

1S/C33H40N2O12/c1-12-27(37)17(34)8-22(44-12)47-32-13(2)45-21(9-18(32)35)46-20-11-33(42,14(3)36)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,37,39,41-42H,8-11,34-35H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1

InChIKey

HCMSUFXIFYKIOL-RPYJURNCSA-N

Smiles

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O[C@H]6C[C@H](N)[C@H](O)[C@H](C)O6)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C