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Impurities and reference standards

Lurasidone impurity 50

Also known as Lurasidone Impurity 119, (1R,2R,6S,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02, 6]dec-8-ene-3,5-dione, (3aR,4R,7S,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

CAS 3024924-65-7Formula C28H34N4O2SMolar mass 490.67 g/mol
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Lurasidone impurity 50 chemical structure, C28H34N4O2S, CAS 3024924-65-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3024924-65-7
Formula
C28H34N4O2S
Molar mass
490.67 g/mol
HS code
293499
Category
Impurities and reference standards

What is Lurasidone impurity 50?

Plain description, key identifiers and synonyms

Lurasidone impurity 50 is a chemical substance with the molecular formula C28H34N4O2S and a molar mass of 490.67 g/mol. Its CAS registry number is 3024924-65-7. The IUPAC name is (1R,2R,6S,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,6S,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CAS number
3024924-65-7
Molecular formula
C28H34N4O2S
UNII
GZ5PX5G5EA
InChIKey
WBUAEALDZNAYSN-CVTJIBDQSA-N
InChI
InChI=1S/C28H34N4O2S/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/h3-4,7-10,18-21,24-25H,1-2,5-6,11-17H2/t18-,19+,20-,21-,24+,25-/m0/s1
Canonical SMILES
O=C1C2C3C=CC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1
Isomeric SMILES
C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@@H]6[C@@H]7C[C@H]([C@@H]6C5=O)C=C7

Synonyms

  • Lurasidone Impurity 119
  • (1R,2R,6S,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02, 6]dec-8-ene-3,5-dione
  • (3aR,4R,7S,7aS)-2-(((1R,2R)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
490.67 g/molcalc.
Exact mass
490.2402 Dacalc.
LogP (octanol/water)
4.03calc.
Topological polar surface area
56.75 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C2C3C=CC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1

O=C1C2C3C=CC(C3)C2C(=O)N1CC1CCCCC1CN1CCN(c2nsc3ccccc23)CC1

7 rings, 35 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Lurasidone impurity 50 suppliers

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Lurasidone impurity 50 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lurasidone impurity 50 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Lurasidone impurity 50 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lurasidone impurity 50, based on the data on this page

What is Lurasidone impurity 50?

Lurasidone impurity 50 is a chemical substance with the molecular formula C28H34N4O2S and a molar mass of 490.67 g/mol. Its CAS registry number is 3024924-65-7. The IUPAC name is (1R,2R,6S,7S)-4-[[(1R,2R)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

What is the CAS number of Lurasidone impurity 50?

The CAS registry number of Lurasidone impurity 50 is 3024924-65-7.

What is the molecular formula and weight of Lurasidone impurity 50?

The molecular formula of Lurasidone impurity 50 is C28H34N4O2S and its molar mass is 490.67 g/mol.

Is Lurasidone impurity 50 hazardous?

No GHS hazard classification for Lurasidone impurity 50 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Lurasidone impurity 50?

Lurasidone impurity 50 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lurasidone impurity 50?

Post a free request on CompoundList and suppliers of Lurasidone impurity 50 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Lurasidone impurity 50?

Suppliers quote Lurasidone impurity 50 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Lurasidone impurity 50

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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