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Substance Name: Adriamycin 14-octanoate, hydrochloride
RN: 51898-39-6
InChIKey: PCIHZBKBBKWVRO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C35-H43-N-O12.Cl-H

Molecular Weight

  • 706.1806
 
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Names and Synonyms

Results Name

  • Adriamycin 14-octanoate, hydrochloride

Synonyms

  • Adriamycin 14-octanoate, hydrochloride
  • Adriamycin-14-octanoate hydrochloride
  • Doxorubicin 14-octanoate HCl
  • NSC 149584

Systematic Name

  • Octanoic acid, 2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)

Registry Numbers

CAS Registry Number

  • 51898-39-6

System Generated Number

  • 0051898396

Molecular Formulas

Molecular Formula

  • C35-H43-N-O12.Cl-H

Molecular Formula Fragments

  • C35-H43-N-O12
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C35H43NO12.ClH/c1-4-5-6-7-8-12-24(38)46-16-23(37)35(44)14-19-27(22(15-35)48-25-13-20(36)30(39)17(2)47-25)34(43)29-28(32(19)41)31(40)18-10-9-11-21(45-3)26(18)33(29)42;/h9-11,17,20,22,25,30,39,41,43-44H,4-8,12-16,36H2,1-3H3;1H

InChIKey

PCIHZBKBBKWVRO-UHFFFAOYSA-N

Smiles

Cl.CCCCCCCC(=O)OCC(=O)C1(O)CC(OC2CC(N)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   "Progress in Chemotherapy, Proceedings of the 8th International Congress on Chemotherapy, Athens, Greece, 1973," Daikos, G.K. ed., Athens, Greece, Hellenic Soc. for Chemotherapy, 1974Vol. 3, Pg. 987, 1974.