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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18N2O3
Molecular Weight 310.3471
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APLINDORE

SMILES

O=C1CC2=C(N1)C=CC3=C2O[C@@H](CNCC4=CC=CC=C4)CO3

InChI

InChIKey=DYJIKHYBKVODAC-ZDUSSCGKSA-N
InChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H18N2O3
Molecular Weight 310.3471
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 16:01:04 UTC 2023
Edited
by admin
on Fri Dec 15 16:01:04 UTC 2023
Record UNII
Q5O76TA0ML
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APLINDORE
INN  
INN  
Official Name English
aplindore [INN]
Common Name English
(2S)-2-((BENZYLAMINO)METHYL)-2,3,7,9-TETRAHYDRO-8H-(1,4)DIOXINO(2,3-E)INDOL-8-ONE
Systematic Name English
PALINDORE
Common Name English
8H-1,4-DIOXINO(2,3-E)INDOL-8-ONE, 2,3,7,9-TETRAHYDRO-2-(((PHENYLMETHYL)AMINO)METHYL)-, (2S)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
Code System Code Type Description
CAS
189681-70-7
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
NCI_THESAURUS
C77563
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110659
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
SMS_ID
300000036968
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID60870185
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
INN
8270
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
DRUG BANK
DB06620
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
PUBCHEM
158784
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
FDA UNII
Q5O76TA0ML
Created by admin on Fri Dec 15 16:01:04 UTC 2023 , Edited by admin on Fri Dec 15 16:01:04 UTC 2023
PRIMARY
Related Record Type Details
TARGET->PARTIAL AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY