2-(6,7,8,9-Tetrahydro-9-hydroxy-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinecarboxylate

Details

Stereochemistry	RACEMIC
Molecular Formula	C24H27FN4O5
Molecular Weight	470.4934
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(6,7,8,9-Tetrahydro-9-hydroxy-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinecarboxylate

Structure Search

SMILES

CC1=C(CCOC(=O)N2CCC(CC2)C3=NOC4=C3C=CC(F)=C4)C(=O)N5CCCC(O)C5=N1

InChI

InChIKey=URCWIRWSGZNAPI-UHFFFAOYSA-N

InChI=1S/C24H27FN4O5/c1-14-17(23(31)29-9-2-3-19(30)22(29)26-14)8-12-33-24(32)28-10-6-15(7-11-28)21-18-5-4-16(25)13-20(18)34-27-21/h4-5,13,15,19,30H,2-3,6-12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C24H27FN4O5
Molecular Weight	470.4934
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 `Wed Apr 02 19:14:09 GMT 2025` Edited by `admin` on `Wed Apr 02 19:14:09 GMT 2025`
Record UNII	6DFD5SB9E6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(6,7,8,9-Tetrahydro-9-hydroxy-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinecarboxylate

Systematic Name

English

Paliperidone carboxylate impurity

Preferred Name

English

1-Piperidinecarboxylic acid, 4-(6-fluoro-1,2-benzisoxazol-3-yl)-, 2-(6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)ethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

59762632

Created by admin on Wed Apr 02 19:14:09 GMT 2025 , Edited by admin on Wed Apr 02 19:14:09 GMT 2025

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CAS

1006685-69-3

Created by admin on Wed Apr 02 19:14:09 GMT 2025 , Edited by admin on Wed Apr 02 19:14:09 GMT 2025

PRIMARY

FDA UNII

6DFD5SB9E6

Created by admin on Wed Apr 02 19:14:09 GMT 2025 , Edited by admin on Wed Apr 02 19:14:09 GMT 2025

PRIMARY