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Details

Stereochemistry ACHIRAL
Molecular Formula C23H26N2O
Molecular Weight 346.4653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROXINDOLE

SMILES

OC1=CC2=C(NC=C2CCCCN3CCC(=CC3)C4=CC=CC=C4)C=C1

InChI

InChIKey=HGEYJZMMUGWEOT-UHFFFAOYSA-N
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2

HIDE SMILES / InChI
Molecular Formula C23H26N2O
Molecular Weight 346.4653
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:38:13 UTC 2023
Edited
by admin
on Fri Dec 15 16:38:13 UTC 2023
Record UNII
43227SMS0O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROXINDOLE
INN   MI  
INN  
Official Name English
ROXINDOLE [MI]
Common Name English
3-(4-(3,6-DIHYDRO-4-PHENYL-1(2H)-PYRIDYLBUTYL)INDOL-5-OL
Common Name English
roxindole [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
NCI_THESAURUS C47794
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
Code System Code Type Description
CAS
112192-04-8
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
CHEBI
48558
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
SMS_ID
100000084367
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
EVMPD
SUB10399MIG
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
WIKIPEDIA
Roxindole
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
MESH
C059613
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
NCI_THESAURUS
C90625
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
ChEMBL
CHEMBL431367
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
MERCK INDEX
m9678
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY Merck Index
FDA UNII
43227SMS0O
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
PUBCHEM
219050
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID5043895
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
INN
6279
Created by admin on Fri Dec 15 16:38:13 UTC 2023 , Edited by admin on Fri Dec 15 16:38:13 UTC 2023
PRIMARY
Related Record Type Details
Structure of ROXINDOLE MESYLATE
SALT/SOLVATE -> PARENT
D(2) DOPAMINE RECEPTOR
TARGET->PARTIAL AGONIST
Related Record Type Details
Structure of ROXINDOLE
ACTIVE MOIETY
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