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Substance Name: Mandelic acid, alpha-benzyl-, (1-methyl-3-piperidyl)methyl ester
RN: 101756-46-1
InChIKey: UNLYBCILVRUEAE-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-N-O3

Molecular Weight

  • 353.459
 
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Names and Synonyms

Synonyms

  • (1-Methyl-3-piperidyl)methyl benzylphenylglycolate
  • alpha-Benzylmandelic acid (1-methyl-3-piperidyl)methyl ester

Systematic Name

  • Mandelic acid, alpha-benzyl-, (1-methyl-3-piperidyl)methyl ester

Registry Numbers

CAS Registry Number

  • 101756-46-1

System Generated Number

  • 0101756461

Structure Descriptors

InChI

1S/C22H27NO3/c1-23-14-8-11-19(16-23)17-26-21(24)22(25,20-12-6-3-7-13-20)15-18-9-4-2-5-10-18/h2-7,9-10,12-13,19,25H,8,11,14-17H2,1H3

InChIKey

UNLYBCILVRUEAE-UHFFFAOYSA-N

Smiles

c1([C@@](Cc2ccccc2)(C(OC[C@@H]2C[N@@](CCC2)C)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 89mg/kg (89mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11210,