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Substance Name: 3-Pyrrolinemethanol, 1-methyl-, benzilate (ester), hydrochloride
RN: 102280-82-0
InChIKey: PNCYOYCRPURULQ-UHFFFAOYSA-N

Molecular Formula

  • C20-H21-N-O3.Cl-H

Molecular Weight

  • 359.8508
 
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Names and Synonyms

Synonyms

  • 3-(1-Methyl-3-pyrroline)methyl benzilate hydrochloride
  • Benzilic acid, 3-(1-methylpyrrolinyl)methyl ester, hydrochloride

Systematic Name

  • 3-Pyrrolinemethanol, 1-methyl-, benzilate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 102280-82-0

System Generated Number

  • 0102280820

Molecular Formulas

Molecular Formula

  • C20-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO3.ClH/c1-21-13-12-16(14-21)15-24-19(22)20(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,14,23H,12-13,15H2,1H3;1H

InChIKey

PNCYOYCRPURULQ-UHFFFAOYSA-N

Smiles

CN1CCC(=C1)COC(=O)C(c2ccccc2)(c3ccccc3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11860,