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Details

Stereochemistry EPIMERIC
Molecular Formula C23H26FN3O2
Molecular Weight 395.4698
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KNAKYLCGCMZXDO-WZENJKSDSA-N
InChI=1S/C23H26FN3O2/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/h1,3-4,6-9,18,20-21,28H,2,5,10-14H2,(H,25,29)/t18-,20-,21?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26FN3O2
Molecular Weight 395.4698
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:22:03 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:03 GMT 2023
Record UNII
ZYS4G8YJA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6BR,10AS)-8-(4-(4-FLUOROPHENYL)-4-HYDROXYBUTYL)-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-HYDROXYBUTYL)-6B,7,8,9,10,10A-HEXAHYDRO-, (6BR,10AS)-
Systematic Name English
LUMATEPERONE METABOLITE M309
Common Name English
IC201309
Common Name English
Code System Code Type Description
PUBCHEM
130277455
Created by admin on Sat Dec 16 15:22:03 GMT 2023 , Edited by admin on Sat Dec 16 15:22:03 GMT 2023
PRIMARY
CAS
2117618-98-9
Created by admin on Sat Dec 16 15:22:03 GMT 2023 , Edited by admin on Sat Dec 16 15:22:03 GMT 2023
PRIMARY
FDA UNII
ZYS4G8YJA8
Created by admin on Sat Dec 16 15:22:03 GMT 2023 , Edited by admin on Sat Dec 16 15:22:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE