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Substance Name: Duocarmycin A
RN: 118292-34-5
UNII: PJV9990868
InChIKey: AZVARJHZBXHUSO-DZQVEHCYSA-N

Note

  • From a Streptomycete.

Molecular Formula

  • C26-H25-N3-O8

Molecular Weight

  • 507.4965
 

Classification Codes

  • Alkylating Agents
  • Drug / Therapeutic Agent
  • Natural Product
  • Noxae
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Names and Synonyms

Name of Substance

  • Duocarmycin A

Synonyms

  • DC88-A
  • Deuocarmycin A
  • Duocarmycin A
  • UNII-PJV9990868

Systematic Names

  • Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,3,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R,7bR,8aS)-
  • Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,6,7,8,8a-octahydro-6-methyl-4,7-dioxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (6R-(6alpha,7bR*,8aalpha))-

Registry Numbers

CAS Registry Number

  • 118292-34-5

FDA UNII

  • PJV9990868

System Generated Number

  • 0118292345

Structure Descriptors

InChI

1S/C26H25N3O8/c1-25(24(33)37-5)22(31)17-19(28-25)14(30)8-16-26(17)9-12(26)10-29(16)23(32)13-6-11-7-15(34-2)20(35-3)21(36-4)18(11)27-13/h6-8,12,27-28H,9-10H2,1-5H3/t12-,25-,26+/m1/s1

InChIKey

AZVARJHZBXHUSO-DZQVEHCYSA-N

Smiles

COC(=O)[C@]1(C)NC2=C(C1=O)[C@@]34C[C@@H]3CN(C(=O)c5cc6cc(OC)c(OC)c(OC)c6[nH]5)C4=CC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34ug/kg (0.034mg/kg)   Journal of Antibiotics. Vol. 41, Pg. 1915, 1988.