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Substance Name: Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-
RN: 85797-12-2
InChIKey: UVQUFAKGLOZQJM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H40-O16

Molecular Weight

  • 704.674
 
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Names and Synonyms

Synonyms

  • 13-O-De(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)trioxacarcin A
  • Antibiotic DC 45A(sub 1)
  • DC-45 A(sub 1)
  • Trioxacarcin A(sub 1)

Systematic Name

  • Trioxacarcin A, 13-O-de(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranoxyl)-

Registry Numbers

CAS Registry Number

  • 85797-12-2

System Generated Number

  • 0085797122

Structure Descriptors

InChI

1S/C34H40O16/c1-12-8-15-20(26-19(12)27-29-33(40,48-26)32(11-44-32)34(49-27,50-29)30(42-6)43-7)24(38)22-21(25(15)41-5)17(9-16(36)23(22)37)47-18-10-31(4,39)28(13(2)45-18)46-14(3)35/h8,13,16-18,27-30,36,38-40H,9-11H2,1-7H3

InChIKey

UVQUFAKGLOZQJM-UHFFFAOYSA-N

Smiles

Cc1cc2c(c(c3c(c2OC)C(CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)(C)O)O)c5c1C6C7C(O5)(C8(CO8)C(O6)(O7)C(OC)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 375ug/kg (0.375mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-99415,
mouse LD50 intravenous 375ug/kg (0.375mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-99415,