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Substance Name: 7-Octyloxy-7-demethoxymitomycin A
RN: 76079-88-4
InChIKey: GEMIIFLGMHAMLT-USYHLRJESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-N3-O6

Molecular Weight

  • 447.5287
 
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Names and Synonyms

Results Name

  • 7-Octyloxy-7-demethoxymitomycin A

Synonyms

  • 7-Octyloxy-7-demethoxymitomycin A
  • 9-(Hydroxymethyl)-9a-methoxy-6-methyl-7-octyloxymitosane carbamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76079-88-4

System Generated Number

  • 0076079884

Structure Descriptors

InChI

1S/C23H33N3O6/c1-4-5-6-7-8-9-10-31-20-13(2)18(27)17-16(19(20)28)14(12-32-22(24)29)23(30-3)21-15(25-21)11-26(17)23/h14-15,21,25H,4-12H2,1-3H3,(H2,24,29)/t14-,15+,21+,23-/m1/s1

InChIKey

GEMIIFLGMHAMLT-USYHLRJESA-N

Smiles

CCCCCCCCOC1=C(C)C(=O)C2=C([C@@H](COC(=O)N)[C@@]3(OC)[C@H]4N[C@H]4CN23)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 804, 1980.