(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24FN3O2
Molecular Weight	393.454
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE

Structure Search

SMILES

[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C4=CC=CC5=C4N2CC(=O)N5

InChI

InChIKey=IYNITNNLGVNMHI-ICSRJNTNSA-N

InChI=1S/C23H24FN3O2/c24-16-8-6-15(7-9-16)21(28)5-2-11-26-12-10-20-18(13-26)17-3-1-4-19-23(17)27(20)14-22(29)25-19/h1,3-4,6-9,18,20H,2,5,10-14H2,(H,25,29)/t18-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE

Systematic Name

English

1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE, 8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-, (6BR,10AS)-

Systematic Name

English

IC201308

Common Name

English

LUMATEPERONE METABOLITE M308

Common Name

English

Code System Code Type Description

PUBCHEM

130277565

Created by admin on Sat Dec 16 15:25:52 GMT 2023 , Edited by admin on Sat Dec 16 15:25:52 GMT 2023

PRIMARY

CAS

2117618-96-7

Created by admin on Sat Dec 16 15:25:52 GMT 2023 , Edited by admin on Sat Dec 16 15:25:52 GMT 2023

PRIMARY

FDA UNII

35KWZ8776F

Created by admin on Sat Dec 16 15:25:52 GMT 2023 , Edited by admin on Sat Dec 16 15:25:52 GMT 2023

PRIMARY

PARENT (METABOLITE)


					70BSQ12069

LUMATEPERONE

SUBSTANCE RECORD


					35KWZ8776F

(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALIN-2(3H)-ONE