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Substance Name: 2H-Thiopyran-4-acetic acid, tetrahydro-4-hydroxy-alpha-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride
RN: 102367-45-3
InChIKey: NXGMGXXRGPDBNW-UHFFFAOYSA-N

Molecular Formula

  • C18-H27-N-O3-S.Cl-H

Molecular Weight

  • 373.9422
 
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Names and Synonyms

Synonym

  • 3-(Dimethylamino)propyl-(4-hydroxy-1-thia-4-cyclohexyl)phenylacetate hydrochloride

Systematic Name

  • 2H-Thiopyran-4-acetic acid, tetrahydro-4-hydroxy-alpha-phenyl-, 3-(dimethylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102367-45-3

System Generated Number

  • 0102367453

Molecular Formulas

Molecular Formula

  • C18-H27-N-O3-S.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO3S.ClH/c1-19(2)11-6-12-21-22-18(20)17(15-7-4-3-5-8-15)16-9-13-23-14-10-16;/h3-5,7-8,16-17H,6,9-14H2,1-2H3;1H

InChIKey

NXGMGXXRGPDBNW-UHFFFAOYSA-N

Smiles

CN(C)CCCOOC(=O)C(c1ccccc1)C2CCSCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11315,