3-(2-CHLOROETHYL)-2-METHYL-9-HYDROXY-6,7,8,9-TETRAHYDRO-4H-PYRIDO (1,2-A) PYRIMIDIN-4-ONE

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NCATS

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

Structure Search

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

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

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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


					7C3ZON4VNI

3-(2-CHLOROETHYL)-2-METHYL-9-HYDROXY-6,7,8,9-TETRAHYDRO-4H-PYRIDO (1,2-A) PYRIMIDIN-4-ONE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					838F01T721

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: