(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (1:1)

Basic Information

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CAS Number

367514-88-3

Molecular Formula

C28H37ClN4O2S

Molecular Weight

529.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

198-205°C

Flash Point

9℃(48.2℉)(lit.)

SMILES

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O=C(N1C[C@H]2[C@H](CN3CCN(C4=NSC5=CC=CC=C45)CC3)CCCC2)[C@@]6([H])[C@](C7)([H])CC[C@]7([H])[C@@]6([H])C1=O.[H]Cl

InChI

InChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1

InChIKey

NEKCRUIRPWNMLK-SCIYSFAVSA-N

LogP

4.677600000000005

Topological Polar Surface Area

56.75000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

804

Synonyms & References

English

Lurasidonhydrochloride
Lurasidone HCl
Lurasidone Hydrochlo
Lurasidone Hydrochlorid
Lurasidone hydrochloride
Lurasidone hydrochloride solution
SM-13496
Latuda
Lurasidone (Hydrochloride)
SM 13496
Lurasidone impurity 4
((3aR,4S,7R,7aS)-2-{(1R,2R)-2-[4-(1,2-benzisothiazol-3-yl)piperazin-1-ylmethyl]cyclohexylmethyl}hexahydro-4,7-methano-2H-isoindole-1,3-dione hydrochloride
N-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinylmethyl)-1-cyclohexylmethyl)-2,3-bicyclo(2.2.1)heptanedicarboximide hydrochloride
(3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione hydrochloride
Lurasidone Hydrochloride
(3aR,4S,7R,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
hydrochloride (1:1)

MDL Number

MFCD00908886

FAQ

What is (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3)?

This compound, with CAS number 367514-88-3, is a complex organic molecule containing a benzothiazole ring, piperazine moiety, and a cyclohexyl group. It is a hydrochloride salt (1:1 ratio) of a 4-azatricyclo structure, exhibiting specific stereochemistry (1R,2S,6R,7S) and functional groups such as ketones and amine derivatives. Its molecular formula is C25H30N4O4S2·HCl, and it is characterized by its stability in controlled environments.

What are the main uses of (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3)?

This compound is primarily used in pharmaceutical research for its potential therapeutic applications, including analgesic and anti-inflammatory properties. It may also find use in medicinal chemistry as a lead compound for drug development. Its unique structure makes it relevant for studies involving molecular interactions and receptor targeting, though specific industrial or commercial applications are not widely documented.

Is (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3) safe?

Safety data for this compound is limited, but as a chemical substance, it requires careful handling to minimize exposure. Protective measures such as gloves, goggles, and a fume hood are recommended during use. While it is not classified as highly toxic, adherence to standard chemical safety protocols and proper storage are essential. Always consult safety data sheets (SDS) for detailed guidelines on its handling and potential hazards.

How should (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3) be stored?

This compound should be stored in a cool, dry place, away from light, in a sealed container to prevent moisture absorption. Maintain storage conditions at 2-8°C to ensure stability. Avoid exposure to incompatible substances and keep it in a well-ventilated area. Proper storage is critical to maintaining its chemical integrity and effectiveness for research or pharmaceutical purposes.

Related Compounds

4,4-Difluoro-1-methylpiperidine structure

(1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-isopropyl-1b-methyl-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-one

CAS Number: 147852-78-6

Molecular Formula: C20H26O7

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Compound Q&A

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(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (1:1) | CAS No. 367514-88-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Flash Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What is (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3)?

What are the main uses of (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3)?

Is (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3) safe?

How should (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione hydrochloride (CAS: 367514-88-3) be stored?

Related Compounds

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