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Substance Name: 9-Epimitomycin B
RN: 13164-90-4
InChIKey: UZUUQCBCWDBYCG-MMJOLYBUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N3-O6

Molecular Weight

  • 349.3411
 
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Names and Synonyms

Results Name

  • 9-Epimitomycin B

Synonym

  • 9-Epimitomycin B

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(((aminocarbonyl)oxy)methyl)-1,5-dimethyl-8a-hydroxy-6-methoxy-, (1aS-(1a-alpha,8-beta,8a-alpha,8b-alpha))-

Registry Numbers

CAS Registry Number

  • 13164-90-4

System Generated Number

  • 0013164904

Structure Descriptors

InChI

1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-,18?/m1/s1

InChIKey

UZUUQCBCWDBYCG-MMJOLYBUSA-N

Smiles

COC1=C(C)C(=O)C2=C([C@@H](COC(=O)N)[C@@]3(O)[C@@H]4[C@H](CN23)N4C)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7500ug/kg (7.5mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1461, 1993.