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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13Cl2N3O2
Molecular Weight 302.157
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PBT-434

SMILES

CCNCC1=NC2=C(C(=O)N1C)C(Cl)=CC(Cl)=C2O

InChI

InChIKey=LQNHWKHRUWSYBK-UHFFFAOYSA-N
InChI=1S/C12H13Cl2N3O2/c1-3-15-5-8-16-10-9(12(19)17(8)2)6(13)4-7(14)11(10)18/h4,15,18H,3,5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H13Cl2N3O2
Molecular Weight 302.157
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 14:59:18 UTC 2023
Edited
by admin
on Sat Dec 16 14:59:18 UTC 2023
Record UNII
UK4JEM5WVX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PBT-434
Code English
5,7-DICHLORO-2-((ETHYLAMINO)METHYL)-8-HYDROXY-3-METHYLQUINAZOLIN-4(3H)-ONE
Systematic Name English
PBT434
Code English
Code System Code Type Description
PUBCHEM
46236251
Created by admin on Sat Dec 16 14:59:19 UTC 2023 , Edited by admin on Sat Dec 16 14:59:19 UTC 2023
PRIMARY
CAS
1232840-87-7
Created by admin on Sat Dec 16 14:59:19 UTC 2023 , Edited by admin on Sat Dec 16 14:59:19 UTC 2023
PRIMARY
FDA UNII
UK4JEM5WVX
Created by admin on Sat Dec 16 14:59:19 UTC 2023 , Edited by admin on Sat Dec 16 14:59:19 UTC 2023
PRIMARY
SMS_ID
100000184272
Created by admin on Sat Dec 16 14:59:19 UTC 2023 , Edited by admin on Sat Dec 16 14:59:19 UTC 2023
PRIMARY
Related Record Type Details
TARGET->INHIBITOR OF AGGREGATION
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY