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Substance Name: 7-Benzyloxy-7-demethoxymitomycin A
RN: 56981-68-1
InChIKey: IQIWIPWLKJCYNJ-PHKAQXKASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N3-O6

Molecular Weight

  • 425.4387
 
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Names and Synonyms

Results Name

  • 7-Benzyloxy-7-demethoxymitomycin A

Synonyms

  • 6-Phenylmethoxy-6-deaminomitomycin C
  • 7-Benzyloxy-7-demethoxymitomycin A
  • 7-Benzyloxy-9-(hydroxymethyl)-9a-methoxy-6-methylmitosane carbamate
  • BRN 4771482

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56981-68-1

System Generated Number

  • 0056981681

Structure Descriptors

InChI

1S/C22H23N3O6/c1-11-17(26)16-15(18(27)19(11)30-9-12-6-4-3-5-7-12)13(10-31-21(23)28)22(29-2)20-14(24-20)8-25(16)22/h3-7,13-14,20,24H,8-10H2,1-2H3,(H2,23,28)/t13-,14+,20+,22-/m1/s1

InChIKey

IQIWIPWLKJCYNJ-PHKAQXKASA-N

Smiles

CO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)OCc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5940ug/kg (5.94mg/kg)   Journal of Antibiotics. Vol. 33, Pg. 804, 1980.