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Substance Name: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-((4-hydroxy-1-methylbutylidene)hydrazono)ethyl)-1-methoxy-10-((2,3-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-
RN: 128948-06-1
InChIKey: WOLUMAVCJLFDEW-XVXIBDOESA-N

Molecular Formula

  • C35-H44-N4-O10.Cl-H

Molecular Weight

  • 717.2115
 
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Names and Synonyms

Synonym

  • 3'-Desamino-3'-dimethylformamidinerubomycin 13-(5''-oxypentylidene-2'')hydrazone hydrochloride

Systematic Name

  • 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-((4-hydroxy-1-methylbutylidene)hydrazono)ethyl)-1-methoxy-10-((2,3-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-

Registry Numbers

CAS Registry Number

  • 128948-06-1

System Generated Number

  • 0128948061

Molecular Formulas

Molecular Formula

  • C35-H44-N4-O10.Cl-H

Molecular Formula Fragments

  • C35-H44-N4-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H44N4O10.ClH/c1-17(9-8-12-40)37-38-19(3)35(46)14-21-27(24(15-35)49-25-13-22(36-16-39(4)5)30(41)18(2)48-25)34(45)29-28(32(21)43)31(42)20-10-7-11-23(47-6)26(20)33(29)44;/h7,10-11,16,18,22,24-25,30,40-41,43,45-46H,8-9,12-15H2,1-6H3;1H/b36-16+,37-17+,38-19+;

InChIKey

WOLUMAVCJLFDEW-XVXIBDOESA-N

Smiles

CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(/C(=N/N=C(\C)/CCCO)/C)O)/N=C/N(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 64mg/kg (64mg/kg)   Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 35(4), Pg. 21, 1990.