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Substance Name: BRN 6042358
RN: 103450-91-5
InChIKey: KPDKPIRUSCZADV-PLKJNFEUSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H36-N2-O12

Molecular Weight

  • 652.6494
 
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Names and Synonyms

Results Name

  • BRN 6042358

Synonym

  • BRN 6042358

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103450-91-5

System Generated Number

  • 0103450915

Structure Descriptors

InChI

1S/C33H36N2O12/c1-5-45-22(37)14-35(10-9-34)19-11-23(46-15(2)28(19)38)47-21-13-33(43,16(3)36)12-18-25(21)32(42)27-26(30(18)40)29(39)17-7-6-8-20(44-4)24(17)31(27)41/h6-8,15,19,21,23,28,38,40,42-43H,5,10-14H2,1-4H3/t15-,19-,21-,23-,28+,33-/m0/s1

InChIKey

KPDKPIRUSCZADV-PLKJNFEUSA-N

Smiles

CCOC(=O)CN(CC#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