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Substance Name: 14-Salicyloyldaunorubicin
RN: 116782-68-4
InChIKey: KLMZCYMMWMOKFU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H33-N-O13

Molecular Weight

  • 663.629
 
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Names and Synonyms

Name of Substance

  • 14-Salicyloyldaunorubicin

Synonyms

  • 14-Salicyloyldaunorubicin
  • 14-Salicyloyloxyrubomycin

Systematic Name

  • Benzoic acid, 2-hydroxy-, 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-osoethyl ester, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 116782-68-4

System Generated Number

  • 0116782684

Structure Descriptors

InChI

1S/C34H33NO13/c1-14-28(38)18(35)10-23(47-14)48-21-12-34(44,22(37)13-46-33(43)15-6-3-4-8-19(15)36)11-17-25(21)32(42)27-26(30(17)40)29(39)16-7-5-9-20(45-2)24(16)31(27)41/h3-9,14,18,21,23,28,36,38,40,42,44H,10-13,35H2,1-2H3

InChIKey

KLMZCYMMWMOKFU-UHFFFAOYSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H]([C@@H]1C)O)N)O[C@@H]1c2c(O)c3C(=O)c4c(cccc4C(=O)c3c(c2C[C@@](C1)(O)C(COC(c1ccccc1O)=O)=O)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39mg/kg (39mg/kg)   Antibiotiki i Khimioterapiya. Antibiotics and Chemotherapy. Vol. 35(2), Pg. 24, 1990.