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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClN2O3
Molecular Weight 410.893
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOLABEGRON

SMILES

O[C@@H](CNCCNC1=CC=CC(=C1)C2=CC=CC(=C2)C(O)=O)C3=CC=CC(Cl)=C3

InChI

InChIKey=LLDXOPKUNJTIRF-QFIPXVFZSA-N
InChI=1S/C23H23ClN2O3/c24-20-8-2-6-18(13-20)22(27)15-25-10-11-26-21-9-3-5-17(14-21)16-4-1-7-19(12-16)23(28)29/h1-9,12-14,22,25-27H,10-11,15H2,(H,28,29)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23ClN2O3
Molecular Weight 410.893
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:56:53 UTC 2023
Edited
by admin
on Fri Dec 15 18:56:53 UTC 2023
Record UNII
55P6YH9O6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOLABEGRON
INN   WHO-DD  
INN  
Official Name English
(1,1'-BIPHENYL)-3-CARBOXYLIC ACID, 3'-((2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)ETHYL)AMINO)-
Common Name English
solabegron [INN]
Common Name English
3'-((2-(((2R)-2-(3-CHLOROPHENYL)-2-HYDROXYETHYL)AMINO)ETHYL)AMINO)BIPHENYL-3-CARBOXYLIC ACID
Systematic Name English
Solabegron [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C48149
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL208427
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
FDA UNII
55P6YH9O6N
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
WIKIPEDIA
SOLABEGRON
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID50179932
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
MESH
C523977
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
INN
8424
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
PUBCHEM
9887812
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
SMS_ID
300000036958
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
NCI_THESAURUS
C96754
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
DRUG BANK
DB06190
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
CHEBI
141346
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
CAS
252920-94-8
Created by admin on Fri Dec 15 18:56:53 UTC 2023 , Edited by admin on Fri Dec 15 18:56:53 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY