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Details

Stereochemistry RACEMIC
Molecular Formula C22H30ClN3O2
Molecular Weight 403.946
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALEPRIDE

SMILES

NC1=C(Cl)C=C(C(=O)NC2CCN(CC3CCC=CC3)CC2)C(OCC=C)=C1

InChI

InChIKey=WJDKTEVHFQAXFP-UHFFFAOYSA-N
InChI=1S/C22H30ClN3O2/c1-2-12-28-21-14-20(24)19(23)13-18(21)22(27)25-17-8-10-26(11-9-17)15-16-6-4-3-5-7-16/h2-4,13-14,16-17H,1,5-12,15,24H2,(H,25,27)

HIDE SMILES / InChI

Molecular Formula C22H30ClN3O2
Molecular Weight 403.946
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:19:26 GMT 2023
Edited
by admin
on Fri Dec 15 16:19:26 GMT 2023
Record UNII
R6G1M06TPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALEPRIDE
INN  
INN  
Official Name English
alepride [INN]
Common Name English
BENZAMIDE, 4-AMINO-5-CHLORO-N-(1-(3-CYCLOHEXEN-1-YLMETHYL)-4-PIPERIDINYL)-2-(2-PROPEN-1-YLOXY)-
Systematic Name English
2-(ALLYLOXY)-4-AMINO-5-CHLORO-N-(1-(3-CYCLOHEXEN-1-YLMETHYL)-4-PIPERIDYL)BENZAMIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C267
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
Code System Code Type Description
EVMPD
SUB05309MIG
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
SMS_ID
100000087870
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104087
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
CAS
66564-15-6
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
PUBCHEM
176880
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID20867233
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
INN
4554
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
NCI_THESAURUS
C74450
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
FDA UNII
R6G1M06TPO
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY