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Details

Stereochemistry RACEMIC
Molecular Formula C16H18N2OS.ClH
Molecular Weight 322.853
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BW-723C86

SMILES

Cl.CC(N)CC1=CNC2=CC=C(OCC3=CC=CS3)C=C12

InChI

InChIKey=PYJBJMIBANAOFJ-UHFFFAOYSA-N
InChI=1S/C16H18N2OS.ClH/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14;/h2-6,8-9,11,18H,7,10,17H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C16H18N2OS
Molecular Weight 286.392
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
7.2 null [pEC50]
7.0 null [pEC50]
6.3 null [pEC50]
Substance Class Chemical
Record UNII
8JMH6M2ELN
Record Status Validated (UNII)
Record Version