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Details

Stereochemistry UNKNOWN
Molecular Formula C18H27N.ClH
Molecular Weight 293.875
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ADLXQEBEJYLYJJ-JAXOOIEVSA-N
InChI=1S/C18H27N.ClH/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;1H/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

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:35:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:30 GMT 2023
Record UNII
W853TL89RY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL-3-(P-TOLYL)QUINUCLIDINE HYDROCHLORIDE, (-)-
Common Name English
1-AZABICYCLO(2.2.2)OCTANE, 2-BUTYL-3-(4-METHYLPHENYL)-, HYDROCHLORIDE, (2R,3S)-REL-(-)-
Systematic Name English
1-AZABICYCLO(2.2.2)OCTANE, 2-BUTYL-3-(4-METHYLPHENYL)-, HYDROCHLORIDE (1:1), (2R,3S)-REL-(-)-
Systematic Name English
Code System Code Type Description
PUBCHEM
155884425
Created by admin on Sat Dec 16 18:35:31 GMT 2023 , Edited by admin on Sat Dec 16 18:35:31 GMT 2023
PRIMARY
FDA UNII
W853TL89RY
Created by admin on Sat Dec 16 18:35:31 GMT 2023 , Edited by admin on Sat Dec 16 18:35:31 GMT 2023
PRIMARY
CAS
561298-91-7
Created by admin on Sat Dec 16 18:35:31 GMT 2023 , Edited by admin on Sat Dec 16 18:35:31 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PARENT -> SALT/SOLVATE