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Substance Name: Benzilic acid, alpha-chloro-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester, hydrochloride
RN: 102516-81-4
InChIKey: KRJATBMNCRRHQB-QYESKELBSA-N

Molecular Formula

  • C23-H26-Cl-N-O2.Cl-H

Molecular Weight

  • 420.3773
 
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Names and Synonyms

Synonym

  • 9-Methyl-3-alpha-granatanyl diphenylchloroacetate hydrochloride

Systematic Name

  • Benzilic acid, alpha-chloro-, 9-methyl-9-azabicyclo(3.3.1)non-3-alpha-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102516-81-4

System Generated Number

  • 0102516814

Molecular Formulas

Molecular Formula

  • C23-H26-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C23-H26-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26ClNO2.ClH/c1-25-19-13-8-14-20(25)16-21(15-19)27-22(26)23(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19-21H,8,13-16H2,1H3;1H/t19-,20+,21+;

InChIKey

KRJATBMNCRRHQB-QYESKELBSA-N

Smiles

CN1[C@@H]2CCC[C@H]1C[C@H](C2)OC(=O)C(c3ccccc3)(c4ccccc4)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10946,