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Substance Name: 5-Isothiazineglycolic acid, alpha-phenyl-, 1-methyl-4-piperidyl ester
RN: 101670-59-1
InChIKey: DUBGPZZEEYRMDD-UHFFFAOYSA-N

Molecular Formula

  • C17-H20-N2-O3-S

Molecular Weight

  • 332.422
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-piperidyl 5-isothiazyl(phenyl)glycolate

Systematic Name

  • 5-Isothiazineglycolic acid, alpha-phenyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101670-59-1

System Generated Number

  • 0101670591

Structure Descriptors

InChI

1S/C17H20N2O3S/c1-19-11-8-14(9-12-19)22-16(20)17(21,15-7-10-18-23-15)13-5-3-2-4-6-13/h2-7,10,14,21H,8-9,11-12H2,1H3

InChIKey

DUBGPZZEEYRMDD-UHFFFAOYSA-N

Smiles

c1([C@@](c2ccccc2)(C(OC2CCN(C)CC2)=O)O)ccns1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11847,