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Substance Name: Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride
RN: 102516-84-7
InChIKey: KCGLNQYJHNVVHI-UHFFFAOYSA-N

Molecular Formula

  • C20-H23-N-O3-S.Cl-H

Molecular Weight

  • 393.933
 
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Names and Synonyms

Synonym

  • 2-(N-Thiamorpholino)ethyl benzilate hydrochloride

Systematic Name

  • Benzilic acid, 2-thiomorpholinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102516-84-7

System Generated Number

  • 0102516847

Molecular Formulas

Molecular Formula

  • C20-H23-N-O3-S.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO3S.ClH/c22-19(24-14-11-21-12-15-25-16-13-21)20(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,23H,11-16H2;1H

InChIKey

KCGLNQYJHNVVHI-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC[NH+]1CCSCC1)=O)O.[ClH-]

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#11714,