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Substance Name: N-(Cyanomethyl)daunorubicin
RN: 103450-88-0
InChIKey: HXMPULXHXQNBFA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C29-H30-N2-O10

Molecular Weight

  • 566.56
 
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Names and Synonyms

Results Name

  • N-(Cyanomethyl)daunorubicin

Synonyms

  • BRN 6037028
  • N-(Cyanomethyl)daunorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 103450-88-0

System Generated Number

  • 0103450880

Structure Descriptors

InChI

1S/C29H30N2O10/c1-12-24(33)16(31-8-7-30)9-19(40-12)41-18-11-29(38,13(2)32)10-15-21(18)28(37)23-22(26(15)35)25(34)14-5-4-6-17(39-3)20(14)27(23)36/h4-6,12,16,18-19,24,31,33,35,37-38H,8-11H2,1-3H3

InChIKey

HXMPULXHXQNBFA-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)NCC#N)O