CAS No.5633-14-7,2-[1-BENZYL-4-PIPERIDYL]-2-PHENYLGLUTARIMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5633-14-7
Name:	2-[1-BENZYL-4-PIPERIDYL]-2-PHENYLGLUTARIMIDE

Formula:	C₂₃H₂₆N₂O₂·ClH
Molecular Weight:	398.93
Synonyms:	Glutarimide, 2-(1-benzyl-4-piperidyl)-2-phenyl-, monohydrochloride (7CI,8CI);Benzetimide hydrochloride;R 4929;(3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, monohydrochloride;
EINECS:	227-072-8
Melting Point:	299-301.5℃
Boiling Point:	543.9 °C at 760 mmHg
Flash Point:	282.7 °C
Appearance:	off-white powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	36
PSA:	52.90000
LogP:	4.28900

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Specification

The 1'-Benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione hydrochloride (1:1), with the CAS registry number 5633-14-7, is also known as (3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, monohydrochloride. Its EINECS number is 227-072-8. This chemical's molecular formula is C₂₃H₂₆N₂O₂·ClH and molecular weight is 398.93. What's more, its systematic name is 1'-Benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione hydrochloride (1:1). Its classification codes are: (1)Anticholinergic; (2)Drug / Therapeutic Agent. This chemical is harmful if swallowed. When using it, you need wear suitable protective clothing.

Physical properties of 1'-Benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione hydrochloride (1:1) are: (1)ACD/LogP: 3.932; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 2.80; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 42.21; (7)ACD/KOC (pH 5.5): 5.85; (8)ACD/KOC (pH 7.4): 241.60; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å²; (13)Flash Point: 282.7 °C; (14)Enthalpy of Vaporization: 82.24 kJ/mol; (15)Boiling Point: 543.9 °C at 760 mmHg; (16)Vapour Pressure: 6.86E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C2NC(=O)CCC2(c1ccccc1)C4CCN(Cc3ccccc3)CC4
(2)Std. InChI: InChI=1S/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H
(3)Std. InChIKey: XSOOSXRNMDUWEM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	46mg/kg (46mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1365, 1971.
mouse	LD50	oral	680mg/kg (680mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 283, 1969.
rat	LD50	intravenous	37600ug/kg (37.6mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1365, 1971.