CAS 186204-33-1

rel-(3aR,4S,5S,7S,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione

Description:

The chemical substance known as rel-(3aR,4S,5S,7S,7aS)-2-[[[1R,2R]-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione, with the CAS number 186204-33-1, is a complex organic compound characterized by its multi-cyclic structure and specific stereochemistry. It features a hexahydroisoindole core, which is modified by various functional groups, including a hydroxyl group and a piperazine moiety. The presence of the benzisothiazole group suggests potential biological activity, possibly related to neuropharmacological effects. This compound is likely to exhibit specific solubility and stability characteristics influenced by its structural features, including chirality and the presence of heteroatoms. Its intricate structure may also suggest potential interactions with biological targets, making it of interest in medicinal chemistry and drug development. However, detailed studies would be necessary to fully elucidate its properties, including its pharmacokinetics, mechanism of action, and potential therapeutic applications.

Formula: C₂₈H₃₆N₄O₃S

InChI: InChI=1/C28H36N4O3S/c33-22-14-19-13-21(22)25-24(19)27(34)32(28(25)35)16-18-6-2-1-5-17(18)15-30-9-11-31(12-10-30)26-20-7-3-4-8-23(20)36-29-26/h3-4,7-8,17-19,21-22,24-25,33H,1-2,5-6,9-16H2/t17-,18-,19-,21+,22-,24-,25+/s2

InChI key: InChIKey=JVTNTCYRWHASTQ-PWEIZSFLNA-N

SMILES: O=C1[C@@]2([C@@]([C@@]3(C[C@]2(C[C@@H]3O)[H])[H])(C(=O)N1C[C@H]4[C@H](CN5CCN(CC5)C=6C=7C(SN6)=CC=CC7)CCCC4)[H])[H]

Synonyms:

• 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1R,2R)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-, (3aR,4S,5S,7S,7aS)-rel-
• rel-(3aR,4S,5S,7S,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione
• 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-5-hydroxy-, [2(1R*,2R*),3aα,4β,5α,7β,7aα]-

Lurasidone Metabolite 14326

CAS: 186204-33-1

Formula: C₂₈H₃₆N₄O₃S

Color and Shape: White To Off-White Solid

Molecular weight: 508.69

Ref: 4Z-L-090004

Lurasidone metabolite 14326

CAS: 186204-33-1

Lurasidone metabolite 14326, an active metabolite of the atypical antipsychotic Lurasidone, functions effectively in the body.

Formula: C₂₈H₃₆N₄O₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 508.68

Ref: TM-T11893

5α/6α-Hydroxy Lurasidone Hydrochloride(Mixture of Diastereomers)

Controlled Product

CAS: 186204-33-1

Formula: C₂₈H₃₇ClN₄O₃S

Color and Shape: Neat

Molecular weight: 1090.273

Ref: TR-H943905

5α/6α-Hydroxy Lurasidone-d8 Hydrochloride(Mixture of Diastereomers)

Controlled Product

CAS: 186204-33-1

Applications A labelled active metabolite of the antipsychotic drug Lurasidone (L474920).

Formula: C₂₈H₂₉D₈ClN₄O₃S

Color and Shape: Neat

Molecular weight: 1106.371

Ref: TR-H943907