Lurasidone-2H-oxireno

Details

Stereochemistry	MIXED
Molecular Formula	C28H34N4O3S
Molecular Weight	506.66
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1[C@H]2[C@H]3C[C@H](C4OC34)[C@H]2C(=O)N1C[C@@H]5CCCC[C@H]5CN6CCN(CC6)C7=NSC8=C7C=CC=C8

InChI

InChIKey=KNMHEHKCBHVCCZ-TZGQUFORSA-N

InChI=1S/C28H34N4O3S/c33-27-22-19-13-20(25-24(19)35-25)23(22)28(34)32(27)15-17-6-2-1-5-16(17)14-30-9-11-31(12-10-30)26-18-7-3-4-8-21(18)36-29-26/h3-4,7-8,16-17,19-20,22-25H,1-2,5-6,9-15H2/t16-,17-,19-,20+,22+,23-,24?,25?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H34N4O3S
Molecular Weight	506.66
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:34:37 GMT 2025` Edited by `admin` on `Wed Apr 02 20:34:37 GMT 2025`
Record UNII	KN4LAE7T3N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R,2aS,5aR,6S)-4-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]tetrahydro-2,6-methano-2H-oxireno[f]isoindole-3,5(1aH,2aH)-dione

Preferred Name

English

Lurasidone-2H-oxireno

Common Name

English

2,6-Methano-2H-oxireno[f]isoindole-3,5(1aH,2aH)-dione, 4-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]tetrahydro-, (2R,2aS,5aR,6S)-

Systematic Name

English

4-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]tetrahydro-2,6-methano-2H-oxireno[f]isoindole-3,5(1aH,2aH)-dione, (2R,2aS,5aR,6S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

154729061

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

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CAS

1373868-14-4

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

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FDA UNII

KN4LAE7T3N

Created by admin on Wed Apr 02 20:34:37 GMT 2025 , Edited by admin on Wed Apr 02 20:34:37 GMT 2025

PRIMARY