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Substance Name: 3-Thiatropyl benzilate, hydrochloride 1/2H2O
RN: 73926-78-0
InChIKey: RVYGMVGGQZDYLY-UHFFFAOYSA-N

Molecular Formula

  • C22-H25-N-O3-S.Cl-H.1/2H2-O

Molecular Weight

  • 857.9556
 
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Names and Synonyms

Results Name

  • 3-Thiatropyl benzilate, hydrochloride 1/2H2O

Synonyms

  • 3-Thiatropyl benzilate, hydrochloride, hemihydrate
  • 9-Methyl-3-thia-9-azabicyclo(3.3.1)nonan-7-ol benzylate hydrochloride hemihydrate

Systematic Name

  • 3-Thia-9-azabicyclo(3.3.1)nonan-7-ol, 9-methyl-, benzilate, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 73926-78-0

System Generated Number

  • 0073926780

Molecular Formulas

Molecular Formula

  • C22-H25-N-O3-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C22-H25-N-O3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C22H25NO3S.2ClH.H2O/c2*1-23-18-12-20(13-19(23)15-27-14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;;;/h2*2-11,18-20,25H,12-15H2,1H3;2*1H;1H2

InChIKey

RVYGMVGGQZDYLY-UHFFFAOYSA-N

Smiles

CN1C2CC(CC1CSC2)OC(=O)C(c3ccccc3)(c4ccccc4)O.CN1C2CC(CC1CSC2)OC(=O)C(c3ccccc3)(c4ccccc4)O.O.Cl.Cl

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#04747,