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Substance Name: 9-Epimitomycin D
RN: 79026-43-0
InChIKey: JHIATKDBEBOOCO-NTMSUYENSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N4-O5

Molecular Weight

  • 334.3302
 
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Names and Synonyms

Results Name

  • 9-Epimitomycin D

Synonyms

  • 9-Epimitomycin D
  • NSC 123106

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79026-43-0

System Generated Number

  • 0079026430

Structure Descriptors

InChI

1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23)13-7(18(13)2)3-19(15)10(8)11(5)20/h6-7,13,23H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-,18?/m1/s1

InChIKey

JHIATKDBEBOOCO-NTMSUYENSA-N

Smiles

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 1461, 1993.