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Substance Name: 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
RN: 101670-60-4
InChIKey: OJXBPYFSVRHGRR-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-N2-O3-S

Molecular Weight

  • 344.433
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(5-isothiazinyl)glycolate
  • Mandelic acid, alpha-(5-isothiazinyl)-, 3-quinuclidinyl ester

Systematic Name

  • 5-Isothiazoleglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101670-60-4

System Generated Number

  • 0101670604

Structure Descriptors

InChI

1S/C18H20N2O3S/c21-17(23-15-12-20-10-7-13(15)8-11-20)18(22,16-6-9-19-24-16)14-4-2-1-3-5-14/h1-6,9,13,15,22H,7-8,10-12H2

InChIKey

OJXBPYFSVRHGRR-UHFFFAOYSA-N

Smiles

c1([C@@](c2ccns2)(C(O[C@@H]2C3CCN(C2)CC3)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11863,