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Details

Stereochemistry EPIMERIC
Molecular Formula C24H30FN3O
Molecular Weight 395.5129
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

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

SMILES

[H][C@]12CCN(CCCC(O)C3=CC=C(F)C=C3)C[C@@]1([H])C4=CC=CC5=C4N2CCN5C

InChI

InChIKey=IJCBVPQIVXGURF-MMBKUXRPSA-N
InChI=1S/C24H30FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21,23,29H,3,6,11-16H2,1H3/t20-,21-,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30FN3O
Molecular Weight 395.5129
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 15:34:07 UTC 2023
Edited
by admin
on Sat Dec 16 15:34:07 UTC 2023
Record UNII
9D6JH25VRL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(6BR,10AS)-.ALPHA.-(4-FLUOROPHENYL)-2,3,6B,9,10,10A-HEXAHYDRO-3-METHYL-1H-PYRIDO(3',4':4,5)PYRROLO(1,2,3-DE)QUINOXALINE-8(7H)-BUTANOL
Systematic Name English
IC200131
Common 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-3-METHYL-, (6BR,10AS)-
Systematic Name English
LUMATEPERONE METABOLITE M131
Common Name English
Code System Code Type Description
FDA UNII
9D6JH25VRL
Created by admin on Sat Dec 16 15:34:07 UTC 2023 , Edited by admin on Sat Dec 16 15:34:07 UTC 2023
PRIMARY
CAS
1469343-42-7
Created by admin on Sat Dec 16 15:34:07 UTC 2023 , Edited by admin on Sat Dec 16 15:34:07 UTC 2023
PRIMARY
PUBCHEM
54579543
Created by admin on Sat Dec 16 15:34:07 UTC 2023 , Edited by admin on Sat Dec 16 15:34:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE