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Details

Stereochemistry RACEMIC
Molecular Formula C23H28N4O4
Molecular Weight 424.4928
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESAPIDIL

SMILES

COC1=CC=CC=C1N2CCN(CC(O)COC3=CC=CC(=C3)C4=NN=C(C)O4)CC2

InChI

InChIKey=FYKZHAJQLBLBJO-UHFFFAOYSA-N
InChI=1S/C23H28N4O4/c1-17-24-25-23(31-17)18-6-5-7-20(14-18)30-16-19(28)15-26-10-12-27(13-11-26)21-8-3-4-9-22(21)29-2/h3-9,14,19,28H,10-13,15-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H28N4O4
Molecular Weight 424.4928
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 16:24:55 GMT 2023
Edited
by admin
on Fri Dec 15 16:24:55 GMT 2023
Record UNII
QRY8KPT3QI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NESAPIDIL
INN  
INN  
Official Name English
1-PIPERAZINEETHANOL, 4-(2-METHOXYPHENYL)-.ALPHA.-((3-(5-METHYL-1,3,4-OXADIAZOL-2-YL)PHENOXY)METHYL)-
Systematic Name English
nesapidil [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29707
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
Code System Code Type Description
CAS
90326-85-5
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
SUPERSEDED
PUBCHEM
175512
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
SMS_ID
100000084178
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
INN
5619
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
CAS
118778-75-9
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID20869055
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
EVMPD
SUB09207MIG
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
FDA UNII
QRY8KPT3QI
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106821
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
NCI_THESAURUS
C66232
Created by admin on Fri Dec 15 16:24:55 GMT 2023 , Edited by admin on Fri Dec 15 16:24:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY