(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

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

Structure Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 15:34:07 GMT 2023`
Record UNII	9D6JH25VRL
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 15:34:07 GMT 2023

PRIMARY

CAS

1469343-42-7

Created by admin on Sat Dec 16 15:34:07 GMT 2023 , Edited by admin on Sat Dec 16 15:34:07 GMT 2023

PRIMARY

PUBCHEM

54579543

Created by admin on Sat Dec 16 15:34:07 GMT 2023 , Edited by admin on Sat Dec 16 15:34:07 GMT 2023

PRIMARY

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