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Substance Name: Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-1-pyrrolidinyl)-2-oxoethyl) ester, (R)-
RN: 161364-89-2
InChIKey: ARYIGUABCXSPSO-CYBMUJFWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N-O4-S

Molecular Weight

  • 323.4109
 
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Names and Synonyms

  • Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-1-pyrrolidinyl)-2-oxoethyl) ester, (R)-

Registry Numbers

CAS Registry Number

  • 161364-89-2

System Generated Number

  • 0161364892

Structure Descriptors

InChI

1S/C16H21NO4S/c1-12(18)22-11-16(19)17-9-5-6-13(17)10-21-15-8-4-3-7-14(15)20-2/h3-4,7-8,13H,5-6,9-11H2,1-2H3/t13-/m1/s1

InChIKey

ARYIGUABCXSPSO-CYBMUJFWSA-N

Smiles

CC(=O)SCC(=O)N1CCC[C@@H]1COc2ccccc2OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 38, Pg. 508, 1995.