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Substance Name: 7-Heptyloxy-7-demethoxymitomycin A
RN: 56981-66-9
InChIKey: KNMGNKQWJPOPQU-VLPVLYFYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N3-O6

Molecular Weight

  • 433.502
 
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Names and Synonyms

Results Name

  • 7-Heptyloxy-7-demethoxymitomycin A

Synonyms

  • 7-Heptyloxy-7-demethoxymitomycin A
  • 7-Heptyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-heptyloxy-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate

Registry Numbers

CAS Registry Number

  • 56981-66-9

System Generated Number

  • 0056981669

Structure Descriptors

InChI

1S/C22H31N3O6/c1-4-5-6-7-8-9-30-19-12(2)17(26)16-15(18(19)27)13(11-31-21(23)28)22(29-3)20-14(24-20)10-25(16)22/h13-14,20,24H,4-11H2,1-3H3,(H2,23,28)/t13-,14?,20?,22-/m1/s1

InChIKey

KNMGNKQWJPOPQU-VLPVLYFYSA-N

Smiles

N12[C@@]([C@@H](C=3C(C(OCCCCCCC)=C(C(C13)=O)C)=O)COC(N)=O)([C@@H]1[C@@H](C2)N1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 88mg/kg (88mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 804, 1980.