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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22ClNO
Molecular Weight 327.848
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AL-1095

SMILES

[H][C@@]3([C@H](C1=CC=CC=C1)C2=CC=C(Cl)C=C2)[C@H](O)C4CCN3CC4

InChI

InChIKey=JXCMZYHEZWCLOD-VAMGGRTRSA-N
InChI=1S/C20H22ClNO/c21-17-8-6-15(7-9-17)18(14-4-2-1-3-5-14)19-20(23)16-10-12-22(19)13-11-16/h1-9,16,18-20,23H,10-13H2/t18-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H22ClNO
Molecular Weight 327.848
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:38 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:38 GMT 2023
Record UNII
FBM6V6H8CK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AL-1095
Common Name English
1-AZABICYCLO(2.2.2)OCTAN-3-OL, 2-((4-CHLOROPHENYL)PHENYLMETHYL)-, (2.ALPHA.(R*),3.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
FBM6V6H8CK
Created by admin on Sat Dec 16 17:03:38 GMT 2023 , Edited by admin on Sat Dec 16 17:03:38 GMT 2023
PRIMARY
PUBCHEM
3041659
Created by admin on Sat Dec 16 17:03:38 GMT 2023 , Edited by admin on Sat Dec 16 17:03:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID60969780
Created by admin on Sat Dec 16 17:03:38 GMT 2023 , Edited by admin on Sat Dec 16 17:03:38 GMT 2023
PRIMARY
WIKIPEDIA
AL-1095
Created by admin on Sat Dec 16 17:03:38 GMT 2023 , Edited by admin on Sat Dec 16 17:03:38 GMT 2023
PRIMARY
CAS
54549-19-8
Created by admin on Sat Dec 16 17:03:38 GMT 2023 , Edited by admin on Sat Dec 16 17:03:38 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY