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Substance Name: Berubicin hydrochloride [USAN]
RN: 293736-67-1
UNII: 7BA3X03948
InChIKey: GPMIHHFZKBVWAZ-LMMKTYIZSA-N

Note

  • Crosses BLOOD-BRAIN BARRIER and inhibits TOPOISOMERASE II.

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C34-H35-N-O11.Cl-H

Molecular Weight

  • 670.1074
 
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Names and Synonyms

Name of Substance

  • Berubicin hydrochloride [USAN]

Synonyms

  • (8S,10S)-10-((3-amino-4-O-benzyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)- 6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene- 5,12-dione hydrochloride
  • Berubicin HCl
  • Berubicin hydrochloride
  • RTA 744
  • UNII-7BA3X03948
  • WP 744
  • WP744

Systematic Name

  • 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-4-O-(phenylmethyl)-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-

Registry Numbers

CAS Registry Number

  • 293736-67-1

FDA UNII

  • 7BA3X03948

Other Registry Number

  • 312932-75-5

System Generated Number

  • 0293736671

Molecular Formulas

Molecular Formula

  • C34-H35-N-O11.Cl-H

Molecular Formula Fragments

  • C34-H35-N-O11
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C34H35NO11.ClH/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40;/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3;1H/t16-,20-,22-,24-,33+,34-;/m0./s1

InChIKey

GPMIHHFZKBVWAZ-LMMKTYIZSA-N

Smiles

c1ccccc1CO[C@@H]1[C@@H](O[C@@H](C[C@@H]1N)O[C@@H]1c2c(c3C(=O)c4c(cccc4C(=O)c3c(c2C[C@](C1)(C(=O)CO)O)O)OC)O)C.Cl