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Substance Name: N-7-(2-(nitrophenyldithio)ethyl)mitomycin C
RN: 95056-36-3
InChIKey: ZNDJOCJUBZZAMN-USYHLRJESA-N

Note

  • Better antitumor activity than mitomycin C.

Molecular Formula

  • C23-H25-N5-O7-S2

Molecular Weight

  • 547.61
 
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Names and Synonyms

Name of Substance

  • N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C

Synonyms

  • Bms 181174
  • Bmy-25067
  • N-7-(2-(Nitrophenyldithio)ethyl)mitomycin C

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-6-((2-((4-nitrophenyl)dithio)ethyl)amino)-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 95056-36-3

System Generated Number

  • 0095056363

Structure Descriptors

InChI

1S/C23H25N5O7S2/c1-11-17(25-7-8-36-37-13-5-3-12(4-6-13)28(32)33)20(30)16-14(10-35-22(24)31)23(34-2)21-15(26-21)9-27(23)18(16)19(11)29/h3-6,14-15,21,25-26H,7-10H2,1-2H3,(H2,24,31)/t14-,15+,21+,23-/m1/s1

InChIKey

ZNDJOCJUBZZAMN-USYHLRJESA-N

Smiles

N12[C@@]([C@@H](C=3C(C(NCCSSc4ccc([N+](=O)[O-])cc4)=C(C(C13)=O)C)=O)COC(N)=O)([C@@H]1[C@H](C2)N1)OC