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Substance Name: 14-Bromodaunorubicin
RN: 65026-79-1
InChIKey: KQRWYZDETCDVGB-TZSSRYMLSA-N

Molecular Formula

  • C27-H28-Br-N-O10

Molecular Weight

  • 606.4192
 
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Names and Synonyms

Name of Substance

  • 14-Bromodaunorubicin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 65026-79-1

System Generated Number

  • 0065026791

Structure Descriptors

InChI

1S/C27H28BrNO10/c1-10-22(31)13(29)6-17(38-10)39-15-8-27(36,16(30)9-28)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,31,33,35-36H,6-9,29H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1

InChIKey

KQRWYZDETCDVGB-TZSSRYMLSA-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(=O)CBr)O)N)O