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Details

Stereochemistry ACHIRAL
Molecular Formula C35H39F2N5O3
Molecular Weight 615.714
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

SMILES

Cc1c(CCN2CCC(CC2)C(=O)c3ccc(cc3N4CCC(CC4)c5c6ccc(cc6on5)F)F)c(=O)n7CCCCc7n1

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 615.714
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 Jun 26 09:47:15 UTC 2021
Edited
by admin
on Sat Jun 26 09:47:15 UTC 2021
Record UNII
02J2MB13ZN
Record Status Validated (UNII)
Record Version
  • Download
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
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
RISPERIDONE IMPURITY I [EP]
Common Name English
Code System Code Type Description
EPA CompTox
1329796-66-8
Created by admin on Sat Jun 26 09:47:15 UTC 2021 , Edited by admin on Sat Jun 26 09:47:15 UTC 2021
PRIMARY
PUBCHEM
71316829
Created by admin on Sat Jun 26 09:47:15 UTC 2021 , Edited by admin on Sat Jun 26 09:47:15 UTC 2021
PRIMARY
FDA UNII
02J2MB13ZN
Created by admin on Sat Jun 26 09:47:15 UTC 2021 , Edited by admin on Sat Jun 26 09:47:15 UTC 2021
PRIMARY
CAS
1329796-66-8
Created by admin on Sat Jun 26 09:47:15 UTC 2021 , Edited by admin on Sat Jun 26 09:47:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP