ChemicalBook--->CAS DataBase List--->1248-42-6

1248-42-6

1248-42-6 Structure

1248-42-6 Structure
IdentificationBack Directory
[Name]

methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride
[CAS]

1248-42-6
[Synonyms]

Pitophenone hydrochloride
Baralgin Ketone Hydrochloride
PITOFENONEHYDROCHLORIDE(FORR&DONLY)
methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate hydrochloride
2-[4-(2-piperidinoethoxy)benzoyl]benzoic acid methyl ester hydrochloride
methyl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate hydrochloride
Benzoic acid,2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)
[EINECS(EC#)]

214-999-8
[Molecular Formula]

C22H26ClNO4
[MDL Number]

MFCD01661944
[MOL File]

1248-42-6.mol
[Molecular Weight]

403.899
Chemical PropertiesBack Directory
[Melting point ]

169-170°C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS(pH 7.2) (1:5): 0.16 mg/ml
[form ]

A crystalline solid
[color ]

White to off-white
[Water Solubility ]

H2O: 2mg/mL, clear
[InChI]

1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
[InChIKey]

ZRFIFDFEDPJBII-UHFFFAOYSA-N
[SMILES]

[Cl-].N3(CCCCC3)CCOc1ccc(cc1)C(=O)c2c(cccc2)C(=O)OC.[H+]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H319-H335-H360
[Precautionary statements ]

P281-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Pitofenone is an antispasmodic agent and an inhibitor of acetylcholinesterase (AChE; Kis = 36 and 45 μM for bovine erythrocyte and electric eel enzyme, respectively). It inhibits acetylcholine-induced contractions of isolated guinea pig ileum when used at a concentration of 2.5 μM.
[Chemical Properties]

White Solid
[Uses]

Diclofenac and its combination with Pitofenone and Fenpiverinium
[IC 50]

AChE
[References]

[1] N S PUNEKAR  A V K. Acetylcholinesterase inhibition by pitofenone: a spasmolytic compound.[J]. Biotechnology and applied biochemistry, 1991, 14 3: 378-382.
[2] SHRINIVAS K KULKARNI. Modulatory effect of diclofenac on antispasmodic effect of pitofenone in cholinergic spasm.[J]. Indian journal of experimental biology, 2004, 42 6: 567-569.
Spectrum DetailBack Directory
[Spectrum Detail]

methyl 2-[4-[2-piperidinoethoxy]benzoyl]benzoate hydrochloride(1248-42-6)1HNMR
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