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Substance Name: 4-Pyridinemethanol, 1,2,3,6-tetrahydro-1-methyl-, 2-(1-hydroxycyclopentyl)-2-phenylacetate
RN: 102206-69-9
InChIKey: OXJRBQOXYAVXTQ-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3

Molecular Weight

  • 329.4373
 
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Names and Synonyms

Synonym

  • 4-(1-Methyl-1,2,3,6-tetrahydropyridine)methyl (1-hydroxycyclopentyl)phenylacetate

Systematic Name

  • 4-Pyridinemethanol, 1,2,3,6-tetrahydro-1-methyl-, 2-(1-hydroxycyclopentyl)-2-phenylacetate

Registry Numbers

CAS Registry Number

  • 102206-69-9

System Generated Number

  • 0102206699

Structure Descriptors

InChI

1S/C20H27NO3/c1-21-13-9-16(10-14-21)15-24-19(22)18(17-7-3-2-4-8-17)20(23)11-5-6-12-20/h2-4,7-9,18,23H,5-6,10-15H2,1H3

InChIKey

OXJRBQOXYAVXTQ-UHFFFAOYSA-N

Smiles

CN1CCC(=CC1)COC(=O)C(c2ccccc2)C3(CCCC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11758,