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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24ClNO
Molecular Weight 281.821
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-15-8081 FREE BASE

SMILES

[H][C@]1(CCCC[C@@H]1O)[C@@H](CN(C)C)C2=CC=C(Cl)C=C2

InChI

InChIKey=XYNACINZTLBHEQ-JYJNAYRXSA-N
InChI=1S/C16H24ClNO/c1-18(2)11-15(12-7-9-13(17)10-8-12)14-5-3-4-6-16(14)19/h7-10,14-16,19H,3-6,11H2,1-2H3/t14-,15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H24ClNO
Molecular Weight 281.821
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 13:45:20 UTC 2023
Edited
by admin
on Sat Dec 16 13:45:20 UTC 2023
Record UNII
J6EIG6Q478
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-15-8081 FREE BASE
Code English
CYCLOHEXANOL, 2-(1-(4-CHLOROPHENYL)-2-(DIMETHYLAMINO)ETHYL)-, (1S-(1.ALPHA.,2.ALPHA.(S*)))-
Systematic Name English
Code System Code Type Description
CAS
100016-74-8
Created by admin on Sat Dec 16 13:45:20 UTC 2023 , Edited by admin on Sat Dec 16 13:45:20 UTC 2023
PRIMARY
FDA UNII
J6EIG6Q478
Created by admin on Sat Dec 16 13:45:20 UTC 2023 , Edited by admin on Sat Dec 16 13:45:20 UTC 2023
PRIMARY
PUBCHEM
66809998
Created by admin on Sat Dec 16 13:45:20 UTC 2023 , Edited by admin on Sat Dec 16 13:45:20 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY