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Substance Name: 7N,7'N'-Dithiodiethylenedimitomycin C
RN: 93367-29-4
InChIKey: NYSVZLHPZIUDAC-CNQMNLIWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H42-N8-O10-S2

Molecular Weight

  • 786.8838
 
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Names and Synonyms

Results Name

  • 7N,7'N'-Dithiodiethylenedimitomycin C

Synonyms

  • 7-N,7'-N'-Dithiodiethylenedimitomycin C
  • BRN 5711864

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6,6'-(dithiobis(2,1-ethanediylimino))bis(8-((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1-alpha,6(1'aR*,8'R*,8'aS*,8'bR*),8-beta,8a-alpha,8b-alpha))-

Registry Numbers

CAS Registry Number

  • 93367-29-4

System Generated Number

  • 0093367294

Structure Descriptors

InChI

1S/C34H42N8O10S2/c1-13-21(27(45)19-15(11-51-31(35)47)33(49-3)29-17(39-29)9-41(33)23(19)25(13)43)37-5-7-53-54-8-6-38-22-14(2)26(44)24-20(28(22)46)16(12-52-32(36)48)34(50-4)30-18(40-30)10-42(24)34/h15-18,29-30,37-40H,5-12H2,1-4H3,(H2,35,47)(H2,36,48)/t15-,16-,17-,18-,29-,30-,33+,34+/m1/s1

InChIKey

NYSVZLHPZIUDAC-CNQMNLIWSA-N

Smiles

CO[C@]12[C@H](COC(=O)N)C3=C(N1C[C@H]4N[C@@H]24)C(=O)C(=C(NCCSSCCNC5=C(C)C(=O)C6=C([C@@H](COC(=O)N)[C@]7(OC)[C@@H]8N[C@@H]8CN67)C5=O)C3=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18800ug/kg (18.8mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 37, Pg. 1128, 1989.