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Substance Name: Mandelic acid, alpha-cyano-, 1-alpha-H,5-alpha-H-tropan-3-alpha-ylester, alpha-acetate, hydrochloride
RN: 101756-53-0
InChIKey: FANMIRPRIHXPSL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N2-O4.Cl-H

Molecular Weight

  • 378.8537
 
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Names and Synonyms

  • Mandelic acid, alpha-cyano-, 1-alpha-H,5-alpha-H-tropan-3-alpha-ylester, alpha-acetate, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-53-0

System Generated Number

  • 0101756530

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O4.Cl-H

Molecular Formula Fragments

  • C19-H22-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2O4.ClH/c1-13(22)25-19(12-20,14-6-4-3-5-7-14)18(23)24-17-10-15-8-9-16(11-17)21(15)2;/h3-7,15-17H,8-11H2,1-2H3;1H

InChIKey

FANMIRPRIHXPSL-UHFFFAOYSA-N

Smiles

CC(=O)OC(C#N)(c1ccccc1)C(=O)OC2CC3CCC(C2)N3C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 905, 1977.