U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H28N4O4
Molecular Weight 424.4928
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERAQUINSIN

SMILES

COC1=CC=CC=C1N2CCN(CCC3=NC4=C(C=C(OC)C(OC)=C4)C(=O)N3)CC2

InChI

InChIKey=CSNKNIWBSXUJRO-UHFFFAOYSA-N
InChI=1S/C23H28N4O4/c1-29-19-7-5-4-6-18(19)27-12-10-26(11-13-27)9-8-22-24-17-15-21(31-3)20(30-2)14-16(17)23(28)25-22/h4-7,14-15H,8-13H2,1-3H3,(H,24,25,28)

HIDE SMILES / InChI

Molecular Formula C23H28N4O4
Molecular Weight 424.4928
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:41:10 GMT 2023
Edited
by admin
on Sat Dec 16 16:41:10 GMT 2023
Record UNII
5726CF21KY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERAQUINSIN
INN  
INN  
Official Name English
6,7-DIMETHOXY-2-(2-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)ETHYL)QUINAZOLIN-4(3H)-ONE
Systematic Name English
peraquinsin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C270
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C66351
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
PUBCHEM
135474663
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
CAS
35265-50-0
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID00188756
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
SMS_ID
100000082727
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
INN
3425
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107079
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
EVMPD
SUB09714MIG
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
FDA UNII
5726CF21KY
Created by admin on Sat Dec 16 16:41:10 GMT 2023 , Edited by admin on Sat Dec 16 16:41:10 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY