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Substance Name: Trioxacarcin A
RN: 81552-36-5
InChIKey: VVCYZYSLUSSELI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H52-O20

Molecular Weight

  • 876.8528
 
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Names and Synonyms

Synonyms

  • Antibiotic DC 45A
  • DC-45-A

Systematic Name

  • Trioxacarcin A

Registry Numbers

CAS Registry Number

  • 81552-36-5

System Generated Number

  • 0081552365

Structure Descriptors

InChI

1S/C42H52O20/c1-15-10-20-27(31(48)29-28(32(20)51-7)22(11-21(45)30(29)47)58-25-13-38(6,49)35(16(2)55-25)57-19(5)44)33-26(15)34-36-41(60-33,39(14-54-39)42(61-34,62-36)37(52-8)53-9)59-24-12-23(46)40(50,17(3)43)18(4)56-24/h10,16,18,21-25,34-37,45-46,48-50H,11-14H2,1-9H3

InChIKey

VVCYZYSLUSSELI-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)OC9CC(C(C(O9)C)(C(=O)C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1519, 1981.