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Substance Name: 7-Isopentyloxy-7-demethoxymitomycin A
RN: 76079-87-3
InChIKey: UPNBGVUKCAAEMH-PTTPRXRQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O6

Molecular Weight

  • 405.4483
 
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Names and Synonyms

Results Name

  • 7-Isopentyloxy-7-demethoxymitomycin A

Synonyms

  • 7-Isopentyloxy-7-demethoxymitomycin A
  • 9-(Hydroxymethyl)-7-isopentyloxy-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-8-(hydroxymethyl)-6-isopentyloxy-8a-methoxy-5-methyl-, carbamate

Registry Numbers

CAS Registry Number

  • 76079-87-3

System Generated Number

  • 0076079873

Structure Descriptors

InChI

1S/C20H27N3O6/c1-9(2)5-6-28-17-10(3)15(24)14-13(16(17)25)11(8-29-19(21)26)20(27-4)18-12(22-18)7-23(14)20/h9,11-12,18,22H,5-8H2,1-4H3,(H2,21,26)/t11-,12+,18+,20-/m1/s1

InChIKey

UPNBGVUKCAAEMH-PTTPRXRQSA-N

Smiles

CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)OCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6750ug/kg (6.75mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 804, 1980.