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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18ClN5O2.ClH
Molecular Weight 396.271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-4800567 hydrochloride

SMILES

Cl.NC1=C2C(COC3=CC(Cl)=CC=C3)=NN(C4CCOCC4)C2=NC=N1

InChI

InChIKey=QZXZQMUZEHTFHD-UHFFFAOYSA-N
InChI=1S/C17H18ClN5O2.ClH/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12;/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21);1H

HIDE SMILES / InChI

Molecular Formula C17H18ClN5O2
Molecular Weight 359.81
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 19:23:35 UTC 2023
Edited
by admin
on Sat Dec 16 19:23:35 UTC 2023
Record UNII
BHN7WPV2AE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-4800567 hydrochloride
Common Name English
PF4800567 hydrochloride
Common Name English
3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2h-pyran-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride
Systematic Name English
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
BHN7WPV2AE
Created by admin on Sat Dec 16 19:23:36 UTC 2023 , Edited by admin on Sat Dec 16 19:23:36 UTC 2023
PRIMARY
CAS
1391052-28-0
Created by admin on Sat Dec 16 19:23:36 UTC 2023 , Edited by admin on Sat Dec 16 19:23:36 UTC 2023
PRIMARY
PUBCHEM
71751553
Created by admin on Sat Dec 16 19:23:36 UTC 2023 , Edited by admin on Sat Dec 16 19:23:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE