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Substance Name: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(1-(cyclohexylidenehydrazono)ethyl)-1-methoxy-6,8,11-trihydroxy-10-((2,3,6-trideoxy-3-(((dimethylamino)methylene)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, monohydrochloride, (8S-cis)-
RN: 128948-05-0
InChIKey: FOEWHZKKRUHUCJ-CFFFMFRASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H44-N4-O9.Cl-H

Molecular Weight

  • 713.2235
 
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Names and Synonyms

Synonym

  • 3'-Desamino-3'-dimethylformamidinerubomycin 13-cyclohexylidenehydrazone hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 128948-05-0

System Generated Number

  • 0128948050

Molecular Formulas

Molecular Formula

  • C36-H44-N4-O9.Cl-H

Molecular Formula Fragments

  • C36-H44-N4-O9
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C36H44N4O9.ClH/c1-18-31(41)23(37-17-40(3)4)14-26(48-18)49-25-16-36(46,19(2)38-39-20-10-7-6-8-11-20)15-22-28(25)35(45)30-29(33(22)43)32(42)21-12-9-13-24(47-5)27(21)34(30)44;/h9,12-13,17-18,23,25-26,31,41,43,45-46H,6-8,10-11,14-16H2,1-5H3;1H/b37-17+,38-19+;

InChIKey

FOEWHZKKRUHUCJ-CFFFMFRASA-N

Smiles

CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(/C(=N/N=C6CCCCC6)/C)O)/N=C/N(C)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 35(4), Pg. 21, 1990.