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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H38N2O4
Molecular Weight 442.5909
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Alnespirone

SMILES

CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]3COC4=C(C3)C(OC)=CC=C4

InChI

InChIKey=DLLULNTXJPATBC-FQEVSTJZSA-N
InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H38N2O4
Molecular Weight 442.5909
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 16:05:53 UTC 2023
Edited
by admin
on Fri Dec 15 16:05:53 UTC 2023
Record UNII
34E28BM822
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Alnespirone
INN  
INN  
Official Name English
alnespirone [INN]
Common Name English
S20499
Code English
S-20499
Code English
(+)-(S)-N-(4-((5-METHOXY-3-CHROMANYL)PROPYLAMINO)BUTYL)-1,1-CYCLOPENTANEDIACETIMIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
NCI_THESAURUS C47794
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
Code System Code Type Description
WIKIPEDIA
ALNESPIRONE
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
CAS
138298-79-0
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
ChEMBL
CHEMBL2104091
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
NCI_THESAURUS
C72689
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
PUBCHEM
178132
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
FDA UNII
34E28BM822
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
SMS_ID
100000087444
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
INN
7187
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
MESH
C075319
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
EVMPD
SUB05353MIG
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID30160560
Created by admin on Fri Dec 15 16:05:53 UTC 2023 , Edited by admin on Fri Dec 15 16:05:53 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
ED50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY