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Details

Stereochemistry EPIMERIC
Molecular Formula C23H28FN3O
Molecular Weight 381.4863
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

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

SMILES

OC(CCCN1CC[C@H]2[C@@H](C1)C3=C4N2CCNC4=CC=C3)C5=CC=C(F)C=C5

InChI

InChIKey=NUJKRFFWQXVMAM-QUCQDJGISA-N
InChI=1S/C23H28FN3O/c24-17-8-6-16(7-9-17)22(28)5-2-12-26-13-10-21-19(15-26)18-3-1-4-20-23(18)27(21)14-11-25-20/h1,3-4,6-9,19,21-22,25,28H,2,5,10-15H2/t19-,21-,22?/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28FN3O
Molecular Weight 381.4863
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 Wed Apr 02 06:17:48 GMT 2025
Edited
by admin
on Wed Apr 02 06:17:48 GMT 2025
Record UNII
KDT972M5ZY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IC200565
Preferred Name English
1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALINE-8(7H)-BUTANOL, .ALPHA.-(4-FLUOROPHENYL)-2,3,6B,9,10,10A-HEXAHYDRO-, (6BR,10AS)-
Systematic Name English
LUMATEPERONE METABOLITE M565
Common Name English
Code System Code Type Description
CAS
1469777-40-9
Created by admin on Wed Apr 02 06:17:48 GMT 2025 , Edited by admin on Wed Apr 02 06:17:48 GMT 2025
PRIMARY
PUBCHEM
68231912
Created by admin on Wed Apr 02 06:17:48 GMT 2025 , Edited by admin on Wed Apr 02 06:17:48 GMT 2025
PRIMARY
FDA UNII
KDT972M5ZY
Created by admin on Wed Apr 02 06:17:48 GMT 2025 , Edited by admin on Wed Apr 02 06:17:48 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE