3-Quinuclidinyl thiochromane-4-carboxylate

3-Quinuclidinyl thiochromane-4-carboxylate
Identifiers
	IUPAC name 1-azabicyclo[2.2.2]octan-3-yl 3,4-dihydro-2H-1-benzothiopyran-4-carboxylate;
Chemical and physical data
Formula	C17H21NO2S
Molar mass	303.42 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(OC1CN2CCC1CC2)C1CCSc2ccccc21;
	InChI InChI=1S/C17H21NO2S/c19-17(20-15-11-18-8-5-12(15)6-9-18)14-7-10-21-16-4-2-1-3-13(14)16/h1-4,12,14-15H,5-11H2; Key:WKRAGTKCJCJQIR-UHFFFAOYSA-N;

3-Quinuclidinyl thiochromane-4-carboxylate is a research compound which is one of the most potent muscarinic antagonists known. Tests in vitro showed it to have a binding affinity over 1000x more potent than 3-quinuclidinyl benzilate.^[1]^[2]

References[]

^ Cohen VI, Gibson RE, Reba RC (October 1987). "Synthesis and structure-activity relationships of new muscarinic antagonists". Journal of Pharmaceutical Sciences. 76 (10): 848–50. doi:10.1002/jps.2600761020. PMID 3430351.
^ Ball JC (2015). "Dual Use Research of Concern: Derivatives of 3-Quinuclidinyl Benzilate". Military Medical Science Letters. 84 (1): 2–41. doi:10.31482/mmsl.2015.001.

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[pmid3430351-1] Cohen VI, Gibson RE, Reba RC (October 1987). "Synthesis and structure-activity relationships of new muscarinic antagonists". Journal of Pharmaceutical Sciences. 76 (10): 848–50. doi:10.1002/jps.2600761020. PMID 3430351.

[2] Ball JC (2015). "Dual Use Research of Concern: Derivatives of 3-Quinuclidinyl Benzilate". Military Medical Science Letters. 84 (1): 2–41. doi:10.31482/mmsl.2015.001.

[1]

[2]

Identifiers

IUPAC name 1-azabicyclo[2.2.2]octan-3-yl 3,4-dihydro-2H-1-benzothiopyran-4-carboxylate
Chemical and physical data
Formula	C₁₇H₂₁NO₂S
Molar mass	303.42 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(OC1CN2CCC1CC2)C1CCSc2ccccc21
InChI InChI=1S/C17H21NO2S/c19-17(20-15-11-18-8-5-12(15)6-9-18)14-7-10-21-16-4-2-1-3-13(14)16/h1-4,12,14-15H,5-11H2 Key:WKRAGTKCJCJQIR-UHFFFAOYSA-N

3-Quinuclidinyl thiochromane-4-carboxylate

See also[]

References[]