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

Details

Stereochemistry RACEMIC
Molecular Formula C18H27N
Molecular Weight 257.4137
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL-3-(P-TOLYL)QUINUCLIDINE

SMILES

CCCC[C@@H]1[C@@H](C2CCN1CC2)C3=CC=C(C)C=C3

InChI

InChIKey=QYIZEJQSBLRXJK-QZTJIDSGSA-N
InChI=1S/C18H27N/c1-3-4-5-17-18(15-8-6-14(2)7-9-15)16-10-12-19(17)13-11-16/h6-9,16-18H,3-5,10-13H2,1-2H3/t17-,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H27N
Molecular Weight 257.4137
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:20 GMT 2023
Record UNII
J5W6BTT4ZQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL-3-(P-TOLYL)QUINUCLIDINE
Systematic Name English
BTQ
Common Name English
1-AZABICYCLO(2.2.2)OCTANE, 2-BUTYL-3-(4-METHYLPHENYL)-, (2R,3S)-REL-
Systematic Name English
2-BUTYL-3-(P-TOLYL)QUINUCLIDINE, (±)-
Common Name English
REL-(2R,3S)-2-BUTYL-3-(4-METHYLPHENYL)-1-AZABICYCLO(2.2.2)OCTANE
Systematic Name English
Code System Code Type Description
CAS
328047-48-9
Created by admin on Sat Dec 16 19:05:21 GMT 2023 , Edited by admin on Sat Dec 16 19:05:21 GMT 2023
PRIMARY
FDA UNII
J5W6BTT4ZQ
Created by admin on Sat Dec 16 19:05:21 GMT 2023 , Edited by admin on Sat Dec 16 19:05:21 GMT 2023
PRIMARY
PUBCHEM
9903250
Created by admin on Sat Dec 16 19:05:21 GMT 2023 , Edited by admin on Sat Dec 16 19:05:21 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> SALT/SOLVATE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY