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N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide;chloride

HCID 42883
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
58934-46-6
Standard SMILES
CC(C)[NH+]1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1.[Cl-]
InChIKey
FSFSWNBDCJVFGI-UHFFFAOYSA-N
Molecular formula
C22H28Cl2N2O
Average molar mass
407.4 g/mol
Monoisotopic mass
406.1578689

Overview

See also: Lorcainide Hydrochloride (preferred); Lorcainide (has active moiety).

Names & identifiers

Preferred name
N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide;chloride
IUPAC
N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide chloride
English name
N-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)phenylacetamide monohydrochloride
Molecular formula
C22H28Cl2N2O
Molecular weight
407.37652

Names & synonyms

N-(4-chlorophenyl)-2-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide;chloride(7S)-3-tert-Butyl-7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3- A]pyridineNsc310411Lorcainide HClEINECS 261-504-6Isocainide hydrochlorideLORCAINIDE HYDROCHLORIDE4'-Chloro-N-(1-isopropyl-4-piperidyl)-2-phenylacetanilide monohydrochlorideN-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)phenylacetamide monohydrochlorideN-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)phenylacetamide monohydrochloride USP/EP/BPBenzeneacetamide, N-(4-chlorophenyl)-N-[1-(1-methylethyl)-4-piperidinyl]-, monohydrochloride

Database identifiers

CAS
58934-46-6
PubChem CID
42883

Properties

Computed structural properties

Topological polar surface area
24.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
27
Formal charge
0
Complexity
433

Physicochemical properties

Melting point
263 ° · 263°
storage temp.
-20 °C · -20°C
solubility
Soluble in DMSO (up to 20 mg/ml), in Water (up to 20 mg/ml), or in Ethanol (up to 20 mg/ml).
form
White solid.
color
Powder
Water Solubility
2 O: · H2O: 10mg/mL, clear
Stability
1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO, distilled water or ethanol may be stored at -20°C for up to 1 month
InChI
1S/C22H27ClN2O.ClH/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18;/h3-11,17,21H,12-16H2,1-2H3;1H
InChIKey
FSFSWNBDCJVFGI-UHFFFAOYSA-N
SMILES
Clc1ccc(cc1)N(C3CCN(CC3)C(C)C)C(=O)Cc2ccccc2.Cl
FDA UNII
1 T1S98ONM1 · 1T1S98ONM1
UNSPSC Code
12352200 · 12352200
NACRES
77 · NA.77
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302
Hazard Classifications
Acute Tox. 4 Oral
Precautionary statements
P264-P270-P301+P312a-P330-P501a

Chemistry & industry

Applications · 2 items

DescriptionLorcainide hydrochloride (58934-46-6) is a voltage-gated Na+channel blocker.1Protects murine cultured cortical neurons from injury induced by oxygen-glucose deprivation.2Acts at the ouabain binding site of guinea pig cardiac Na+/K+ATPase and inhibits the enzyme (IC50= 34 μM).3

UsesCardiac depressant (anti-arrhythmic).

Suppliers5 total

Aladdin Scientific[email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312a-P330-P501a
WGK Germany
3 · WGK 3
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 Oral · Acute Tox. 4 Oral