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Substance Name: Chetomin
RN: 1403-36-7
InChIKey: ZRZWBWPDBOVIGQ-YWZWRZHGSA-N

Note

  • C31H30N6O6S4, similar to epipolythiodioxopiperazines.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H30-N6-O6-S4

Molecular Weight

  • 710.878
 
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Names and Synonyms

Name of Substance

  • Chetomin

Synonyms

  • 4-27-00-09496 (Beilstein Handbook Reference)
  • BRN 0077366
  • Chaetomin
  • Chetomin
  • NSC 289491

Systematic Name

  • Chetomin

Registry Numbers

CAS Registry Number

  • 1403-36-7

System Generated Number

  • 0001403367

Structure Descriptors

InChI

1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1

InChIKey

ZRZWBWPDBOVIGQ-YWZWRZHGSA-N

Smiles

CN1C(=O)[C@]2(N(C(=O)[C@@]1(SS2)Cc3cn(c4c3cccc4)[C@]56C[C@]78C(=O)N([C@](C(=O)N7[C@H]5Nc9c6cccc9)(SS8)CO)C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 75mg/kg (75mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 174, 1980.