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Substance Name: Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-
RN: 101711-08-4
InChIKey: UFZHUZNAQSRPME-GJFGYCNFSA-N

Molecular Formula

  • C21-H25-N-O3

Molecular Weight

  • 339.432
 
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Names and Synonyms

Synonym

  • L-(+)-2-alpha-Tropanyl phenyl(3-methyl-3-buten-1-ynyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(3-methyl-1-butyn-3-enyl)-, 2-alpha-tropanyl ester, L-(+)-

Registry Numbers

CAS Registry Number

  • 101711-08-4

System Generated Number

  • 0101711084

Structure Descriptors

InChI

1S/C21H25NO3/c1-15(2)13-14-21(24,16-7-5-4-6-8-16)20(23)25-19-12-10-17-9-11-18(19)22(17)3/h4-8,17-19,24H,1,9-12H2,2-3H3/t17?,18?,19?,21-/m0/s1

InChIKey

UFZHUZNAQSRPME-GJFGYCNFSA-N

Smiles

c1([C@@](C(O[C@@H]2[C@@H]3[N@@]([C@@H](CC2)CC3)C)=O)(C#CC(C)=C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11832,