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Substance Name: Mandelic acid, alpha-isopropyl-, (2,3-didehydro-1-alpha-H,5-alpha-H-tropan-2-yl)methyl ester
RN: 93101-67-8
InChIKey: HOJNIJKBHYQFTN-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3

Molecular Weight

  • 329.437
 
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Names and Synonyms

Synonyms

  • 2-Tropidinemethyl alpha-isopropyl-alpha-phenylglycolate
  • NSC 263556

Systematic Name

  • Mandelic acid, alpha-isopropyl-, (2,3-didehydro-1-alpha-H,5-alpha-H-tropan-2-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 93101-67-8

System Generated Number

  • 0093101678

Structure Descriptors

InChI

1S/C20H27NO3/c1-14(2)20(23,16-7-5-4-6-8-16)19(22)24-13-15-9-10-17-11-12-18(15)21(17)3/h4-9,14,17-18,23H,10-13H2,1-3H3

InChIKey

HOJNIJKBHYQFTN-UHFFFAOYSA-N

Smiles

C=1([C@@H]2[N@@]([C@@H](CC2)CC1)C)COC([C@@](c1ccccc1)(C(C)C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11872,