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Substance Name: 3-Quinuclidinemethanol, alpha,alpha-bis(3,4-xylyl)-
RN: 57734-80-2
InChIKey: AIEOARPRTKSOKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O

Molecular Weight

  • 349.5149
 
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Names and Synonyms

Synonyms

  • 5-21-04-00182 (Beilstein Handbook Reference)
  • alpha,alpha-Bis(3,4-xylyl)-3-quinuclidinemethanol
  • Benzhydrol, alpha-(3-quinuclidinyl)-3,3',4,4'-tetramethyl-
  • BRN 1549781

Systematic Name

  • 3-Quinuclidinemethanol, alpha,alpha-bis(3,4-xylyl)-

Registry Numbers

CAS Registry Number

  • 57734-80-2

System Generated Number

  • 0057734802

Structure Descriptors

InChI

1S/C24H31NO/c1-16-5-7-21(13-18(16)3)24(26,22-8-6-17(2)19(4)14-22)23-15-25-11-9-20(23)10-12-25/h5-8,13-14,20,23,26H,9-12,15H2,1-4H3

InChIKey

AIEOARPRTKSOKM-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1C)C(c2ccc(c(c2)C)C)(C3CN4CCC3CC4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31mg/kg (31mg/kg) LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR DILATION Pharmaceutical Chemistry Journal Vol. 10, Pg. 1155, 1976.