3-(2-(4-(4-FLUORO-2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDIN-1-YL)BENZOYL)PIPERIDIN-1-YL)ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H39F2N5O3
Molecular Weight	615.7127
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-(4-(4-FLUORO-2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDIN-1-YL)BENZOYL)PIPERIDIN-1-YL)ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE

Structure Search

SMILES

CC1=C(CCN2CCC(CC2)C(=O)C3=C(C=C(F)C=C3)N4CCC(CC4)C5=NOC6=C5C=CC(F)=C6)C(=O)N7CCCCC7=N1

InChI

InChIKey=KFSXRPYSFQCHPR-UHFFFAOYSA-N

InChI=1S/C35H39F2N5O3/c1-22-27(35(44)42-14-3-2-4-32(42)38-22)13-17-40-15-9-24(10-16-40)34(43)28-7-5-25(36)20-30(28)41-18-11-23(12-19-41)33-29-8-6-26(37)21-31(29)45-39-33/h5-8,20-21,23-24H,2-4,9-19H2,1H3

HIDE SMILES / InChI

Molecular Formula	C35H39F2N5O3
Molecular Weight	615.7127
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 09:10:02 UTC 2023` Edited by `admin` on `Sat Dec 16 09:10:02 UTC 2023`
Record UNII	02J2MB13ZN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2-(4-(4-FLUORO-2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDIN-1-YL)BENZOYL)PIPERIDIN-1-YL)ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE

Systematic Name

English

RISPERIDONE IMPURITY I [EP IMPURITY]

Common Name

English

4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 3-(2-(4-(4-FLUORO-2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)BENZOYL)-1-PIPERIDINYL)ETHYL)-6,7,8,9-TETRAHYDRO-2-METHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60157887

Created by admin on Sat Dec 16 09:10:02 UTC 2023 , Edited by admin on Sat Dec 16 09:10:02 UTC 2023

PRIMARY

PUBCHEM

71316829

Created by admin on Sat Dec 16 09:10:02 UTC 2023 , Edited by admin on Sat Dec 16 09:10:02 UTC 2023

PRIMARY

FDA UNII

02J2MB13ZN

Created by admin on Sat Dec 16 09:10:02 UTC 2023 , Edited by admin on Sat Dec 16 09:10:02 UTC 2023

PRIMARY

CAS

1329796-66-8

Created by admin on Sat Dec 16 09:10:02 UTC 2023 , Edited by admin on Sat Dec 16 09:10:02 UTC 2023

PRIMARY

Related Record Type Details


					L6UH7ZF8HC

RISPERIDONE

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP

Amount: