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Substance Name: Glyoxylic acid, 2-(hexahydro-1,4-thiazepin-4-yl)ethyl ester, 2-(bis(p-chlorophenyl)acetal)
RN: 87565-60-4
InChIKey: RBGBPGNEPQFOSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl2-N-O4-S

Molecular Weight

  • 454.3719
 
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Names and Synonyms

Synonyms

  • 1,4-Thiazepine-4-ethanol, hexahydro-, bis-p-chlorophenoxyacetate
  • Acetic acid, bis(4-chlorophenoxy)-, 2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl ester

Systematic Name

  • Glyoxylic acid, 2-(hexahydro-1,4-thiazepin-4-yl)ethyl ester, 2-(bis(p-chlorophenyl)acetal)

Registry Numbers

CAS Registry Number

  • 87565-60-4

System Generated Number

  • 0087565604

Structure Descriptors

InChI

1S/C21H21Cl2NO4S/c22-16-2-6-18(7-3-16)27-21(28-19-8-4-17(23)5-9-19)20(25)26-13-11-24-10-1-14-29-15-12-24/h1-9,14,21H,10-13,15H2

InChIKey

RBGBPGNEPQFOSM-UHFFFAOYSA-N

Smiles

c1cc(ccc1OC(C(=O)OCCN2CCSC=CC2)Oc3ccc(cc3)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: EXCITEMENT
Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 63, 1983.