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Substance Name: Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
RN: 68208-99-1
InChIKey: WJHNXCXMGWAEPW-UHFFFAOYSA-N

Molecular Formula

  • C14-H19-N-O3-S

Molecular Weight

  • 281.3741
 
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Names and Synonyms

Synonym

  • 1-(3,4,5-Trimethoxythiobenzoyl)pyrrolidine

Systematic Name

  • Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-

Registry Numbers

CAS Registry Number

  • 68208-99-1

System Generated Number

  • 0068208991

Structure Descriptors

InChI

1S/C14H19NO3S/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(19)15-6-4-5-7-15/h8-9H,4-7H2,1-3H3

InChIKey

WJHNXCXMGWAEPW-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)C(=S)N2CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 700mg/kg (700mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 27, 1979.