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Substance Name: Daunorubicin bromoketal
RN: 106401-68-7
UNII: 3Z1AE1LY2D
InChIKey: JIMPRCTWUQVCIT-BJRCHLRVSA-N

Molecular Formula

  • C29-H34-Br-N-O11

Molecular Weight

  • 652.4876
 
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Names and Synonyms

Name of Substance

  • Daunorubicin bromoketal

Synonyms

  • (8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(2-bromo-1,1-dimethoxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(2-bromo-1,1-dimethoxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-
  • Daunorubicin bromo dimethyl ketal
  • Daunorubicin bromoketal
  • UNII-3Z1AE1LY2D
  • Valrubicin impurity, daunorubicin bromoketal [USP]

Registry Numbers

CAS Registry Number

  • 106401-68-7

FDA UNII

  • 3Z1AE1LY2D

System Generated Number

  • 0106401687

Structure Descriptors

InChI

1S/C29H34BrNO11/c1-12-23(32)15(31)8-18(41-12)42-17-10-28(37,29(11-30,39-3)40-4)9-14-20(17)27(36)22-21(25(14)34)24(33)13-6-5-7-16(38-2)19(13)26(22)35/h5-7,12,15,17-18,23,32,34,36-37H,8-11,31H2,1-4H3/t12-,15-,17-,18-,23+,28-/m0/s1

InChIKey

JIMPRCTWUQVCIT-BJRCHLRVSA-N

Smiles

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(CBr)(OC)OC)O)N)O