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Substance Name: (+)-2-alpha-Tropan-2-ol, (-)-2-cyclohexyl-2-phenylglycolate
RN: 64471-13-2
InChIKey: OKUUPHMNOPNUDM-IIZPIQPGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O3

Molecular Weight

  • 357.4909
 
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Names and Synonyms

  • (+)-2-alpha-Tropan-2-ol, (-)-2-cyclohexyl-2-phenylglycolate

Registry Numbers

CAS Registry Number

  • 64471-13-2

System Generated Number

  • 0064471132

Structure Descriptors

InChI

1S/C22H31NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-20,25H,3,6-7,10-15H2,1H3/t18-,19+,20-,22-/m0/s1

InChIKey

OKUUPHMNOPNUDM-IIZPIQPGSA-N

Smiles

CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)[C@](c3ccccc3)(C4CCCCC4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1612, 1977.