U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C7H13NO.ClH
Molecular Weight 163.645
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-QUINUCLIDINOL HYDROCHLORIDE

SMILES

Cl.OC1CN2CCC1CC2

InChI

InChIKey=OYEJRVVBERZWPD-UHFFFAOYSA-N
InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H

HIDE SMILES / InChI

Molecular Formula C7H13NO
Molecular Weight 127.1842
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydr-oxy-1-phenyl-indolin-2-one ethanol solvate.
2009-09-12
rac-2-(2-Amino-4-oxo-4,5-dihydro-1,3-thia-zol-5-yl)-2-hydroxy-indane-1,3-dione.
2009-07-18
Stereoselective synthesis of (R)-3-quinuclidinol through asymmetric reduction of 3-quinuclidinone with 3-quinuclidinone reductase of Rhodotorula rubra.
2009-06
(Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-yl-idene)meth-yl]-1H-indol-1-yl}meth-yl)benzoate.
2008-12-10
rac-(Z)-2-(2-Thienylmethylene)-1-azabicyclo[2.2.2]octan-3-ol.
2007-08
Aza-Morita-Baylis-Hillman reactions and cyclizations of conjugated dienes activated by sulfone, ester, and keto groups.
2007-04-27
Preparation of enantiomers of quinuclidin-3-Ol derivatives and their interactions with human cholinesterases.
2005-12-15
Morita-Baylis-Hillman reaction and cyclization of 1-(p-toluenesulfonyl)-1,3-butadiene with aldimines.
2005-06-09
Correlation between pK(a) and reactivity of quinuclidine-based catalysts in the Baylis-Hillman reaction: discovery of quinuclidine as optimum catalyst leading to substantial enhancement of scope.
2003-02-07
Capillary electrophoresis/mass spectrometry: a promising tool for the control of some physiologically hazardous compounds. I-derivatives of 3-quinuclidinol.
2002-12
Rate acceleration of the Baylis-Hillman reaction in polar solvents (water and formamide). Dominant role of hydrogen bonding, not hydrophobic effects, is implicated.
2002-01-25
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:33:03 GMT 2025
Edited
by admin
on Mon Mar 31 23:33:03 GMT 2025
Record UNII
979W3EXJ0I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-QUINUCLIDINOL DL-FORM HYDROCHLORIDE [MI]
Preferred Name English
3-QUINUCLIDINOL HYDROCHLORIDE
Systematic Name English
1-AZABICYCLO(2.2.2)OCTAN-3-OL, HYDROCHLORIDE (1:1)
Systematic Name English
DL-3-QUINUCLIDINOL HYDROCHLORIDE
Common Name English
(±)-3-QUINUCLIDINOL HYDROCHLORIDE
Systematic Name English
(±)-1-AZABICYCLO(2.2.2)OCTAN-3-OL HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
2723725
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-352-2
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY
FDA UNII
979W3EXJ0I
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID90977939
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY
MERCK INDEX
m9469
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY Merck Index
CAS
6238-13-7
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
PRIMARY
CAS
25333-43-1
Created by admin on Mon Mar 31 23:33:03 GMT 2025 , Edited by admin on Mon Mar 31 23:33:03 GMT 2025
SUPERSEDED