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Substance Name: (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate
RN: 64471-21-2
InChIKey: BXAMIPHFVLGJKY-CCEZHUSRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O3

Molecular Weight

  • 339.4325
 
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Names and Synonyms

Synonym

  • BRN 1502117

Systematic Name

  • (+)-2-alpha-Tropan-2-ol, (+-)-2-(2-methyl-1-buten-3-ynyl)-2-phenylglycolate

Registry Numbers

CAS Registry Number

  • 64471-21-2

System Generated Number

  • 0064471212

Structure Descriptors

InChI

1S/C21H25NO3/c1-4-15(2)14-21(24,16-8-6-5-7-9-16)20(23)25-19-13-11-17-10-12-18(19)22(17)3/h1,5-9,14,17-19,24H,10-13H2,2-3H3/b15-14+

InChIKey

BXAMIPHFVLGJKY-CCEZHUSRSA-N

Smiles

C/C(=C\C(c1ccccc1)(C(=O)OC2CCC3CCC2N3C)O)/C#C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1612, 1977.