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Details

Stereochemistry RACEMIC
Molecular Formula C11H15ClN2O2
Molecular Weight 242.702
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-CHLOROETHYL)-2-METHYL-9-HYDROXY-6,7,8,9-TETRAHYDRO-4H-PYRIDO (1,2-A) PYRIMIDIN-4-ONE

SMILES

CC1=C(CCCl)C(=O)N2CCCC(O)C2=N1

InChI

InChIKey=JKVUGXRJSYRXFN-UHFFFAOYSA-N
InChI=1S/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3

HIDE SMILES / InChI
Molecular Formula C11H15ClN2O2
Molecular Weight 242.702
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:23:33 GMT 2025
Edited
by admin
on Mon Mar 31 23:23:33 GMT 2025
Record UNII
4M62IXL9X4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PALIPERIDONE RELATED COMPOUND C [USP IMPURITY]
Preferred Name English
3-(2-CHLOROETHYL)-2-METHYL-9-HYDROXY-6,7,8,9-TETRAHYDRO-4H-PYRIDO (1,2-A) PYRIMIDIN-4-ONE
Systematic Name English
PALIPERIDONE RELATED COMPOUND C [USP-RS]
Common Name English
4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 3-(2-CHLOROETHYL)-6,7,8,9-TETRAHYDRO-9-HYDROXY-2-METHYL-
Systematic Name English
3-(2-CHLOROETHYL)-9-HYDROXY-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
15547194
Created by admin on Mon Mar 31 23:23:33 GMT 2025 , Edited by admin on Mon Mar 31 23:23:33 GMT 2025
PRIMARY
CAS
130049-82-0
Created by admin on Mon Mar 31 23:23:33 GMT 2025 , Edited by admin on Mon Mar 31 23:23:33 GMT 2025
PRIMARY
RS_ITEM_NUM
1491831
Created by admin on Mon Mar 31 23:23:33 GMT 2025 , Edited by admin on Mon Mar 31 23:23:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID00573961
Created by admin on Mon Mar 31 23:23:33 GMT 2025 , Edited by admin on Mon Mar 31 23:23:33 GMT 2025
PRIMARY
FDA UNII
4M62IXL9X4
Created by admin on Mon Mar 31 23:23:33 GMT 2025 , Edited by admin on Mon Mar 31 23:23:33 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-(2-CHLOROETHYL)-2-METHYL-9-HYDROXY-6,7,8,9-TETRAHYDRO-4H-PYRIDO (1,2-A) PYRIMIDIN-4-ONE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of PALIPERIDONE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
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