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Substance Name: 2,3-Dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione, 5,7-dimethyl-1-(hydroxymethyl)-4-(phenylmethyl)-, (-)-
RN: 40380-24-3
InChIKey: SJRIMIDQFZMJPZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C14-H16-N2-O3-S2

Molecular Weight

  • 324.423
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-dithio-3,6-diketopiperazine
  • Antibiotic A 26771A

Systematic Name

  • 2,3-Dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione, 5,7-dimethyl-1-(hydroxymethyl)-4-(phenylmethyl)-, (-)-

Registry Numbers

CAS Registry Number

  • 40380-24-3

System Generated Number

  • 0040380243

Structure Descriptors

InChI

1S/C14H16N2O3S2/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3

InChIKey

SJRIMIDQFZMJPZ-UHFFFAOYSA-N

Smiles

C1([C@@]2(N(C(=O)[C@@](N1C)(CO)SS2)C)Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 3, Pg. 1935, 1978.