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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18BrClN4O2
Molecular Weight 449.729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAROGRELIL

SMILES

ClC1=CC=C(CCCOC2=NNC(=O)C(Br)=C2NCC3=CN=CC=C3)C=C1

InChI

InChIKey=YJMYSLFFZJUXOA-UHFFFAOYSA-N
InChI=1S/C19H18BrClN4O2/c20-16-17(23-12-14-3-1-9-22-11-14)19(25-24-18(16)26)27-10-2-4-13-5-7-15(21)8-6-13/h1,3,5-9,11H,2,4,10,12H2,(H2,23,24,26)

HIDE SMILES / InChI

Molecular Formula C19H18BrClN4O2
Molecular Weight 449.729
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:06:10 UTC 2023
Edited
by admin
on Sat Dec 16 17:06:10 UTC 2023
Record UNII
2PCP9N33NH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PAROGRELIL
INN  
INN  
Official Name English
parogrelil [INN]
Common Name English
4-BROMO-6-(3-(4-CHLOROPHENYL)PROPOXY)-5-((PYRIDIN-3-YLMETHYL)AMINO)PYRIDAZIN-3(2H)-ONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C744
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
Code System Code Type Description
FDA UNII
2PCP9N33NH
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
NCI_THESAURUS
C90919
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
INN
8650
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
PUBCHEM
9803788
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID80930371
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
SMS_ID
100000175341
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
CAS
139145-27-0
Created by admin on Sat Dec 16 17:06:10 UTC 2023 , Edited by admin on Sat Dec 16 17:06:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY