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Substance Name: Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-
RN: 70733-82-3
InChIKey: RHOMLRLCNXAINV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O4-S

Molecular Weight

  • 351.4645
 
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Names and Synonyms

Synonyms

  • BRN 1661920
  • Octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)azocine

Systematic Name

  • Azocine, octahydro-1-((4-(acetyloxy)-3,5-dimethoxyphenyl)thioxomethyl)-

Registry Numbers

CAS Registry Number

  • 70733-82-3

System Generated Number

  • 0070733823

Structure Descriptors

InChI

1S/C18H25NO4S/c1-13(20)23-17-15(21-2)11-14(12-16(17)22-3)18(24)19-9-7-5-4-6-8-10-19/h11-12H,4-10H2,1-3H3

InChIKey

RHOMLRLCNXAINV-UHFFFAOYSA-N

Smiles

CC(=O)Oc1c(cc(cc1OC)C(=S)N2CCCCCCC2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 27, 1979.