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Substance Name: Duocarmycin SA
RN: 130288-24-3
InChIKey: VQNATVDKACXKTF-XELLLNAOSA-N

Note

  • Isolated from Streptomyces.

Classification Codes

  • Alkylating Agents
  • Drug / Therapeutic Agent
  • Noxae

Molecular Formula

  • C25-H23-N3-O7

Molecular Weight

  • 477.4707
 
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Names and Synonyms

Name of Substance

  • Duocarmycin SA

Synonyms

  • Antibiotic DC113
  • Duocarmycin SA

Systematic Names

  • Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hexahydro-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (7bR)-
  • Duocarmycin SA

Registry Numbers

CAS Registry Number

  • 130288-24-3

System Generated Number

  • 0130288243

Structure Descriptors

InChI

1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1

InChIKey

VQNATVDKACXKTF-XELLLNAOSA-N

Smiles

COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 143ug/kg (0.143mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 1037, 1990.