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Substance Name: Ladirubicin [INN]
RN: 171047-47-5
UNII: U395ERO49H
InChIKey: VMDWTZZCNDEKIO-CBNJBKGYSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C29-H31-N-O11-S

Molecular Weight

  • 601.6259
 
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Names and Synonyms

Name of Substance

  • Ladirubicin [INN]

Synonyms

  • (1S,3S-3-Acetyl-1,2,3,4,6,11,hexahydro-3,5,12-trihydroxy-6,11-dioxo-1-naphthacenyl 3-(1-aziridinyl)-2,3,6-trideoxy-4-O-(methylsulfonyl)-alpha-L-lyxo-hexopyranoside
  • Ladirubicin
  • UNII-U395ERO49H

Registry Numbers

CAS Registry Number

  • 171047-47-5

FDA UNII

  • U395ERO49H

System Generated Number

  • 0171047475

Structure Descriptors

InChI

1S/C29H31NO11S/c1-13-28(41-42(3,37)38)18(30-8-9-30)10-20(39-13)40-19-12-29(36,14(2)31)11-17-21(19)27(35)23-22(26(17)34)24(32)15-6-4-5-7-16(15)25(23)33/h4-7,13,18-20,28,34-36H,8-12H2,1-3H3/t13-,18-,19-,20-,28+,29-/m0/s1

InChIKey

VMDWTZZCNDEKIO-CBNJBKGYSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N6CC6)OS(=O)(=O)C