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

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
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
7.2 null [pEC50]
7.0 null [pEC50]
6.3 null [pEC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:56:43 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:43 GMT 2023
Record UNII
8JMH6M2ELN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BW-723C86
Code English
1H-INDOLE-3-ETHANAMINE, .ALPHA.-METHYL-5-(2-THIENYLMETHOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
BW-723C86 HYDROCHLORIDE
Code English
Code System Code Type Description
WIKIPEDIA
BW-723C86
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
PRIMARY
CAS
160521-72-2
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
PRIMARY
PUBCHEM
5311036
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90415503
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
PRIMARY
FDA UNII
8JMH6M2ELN
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
BINDING
IC50