Benzetimide HCl
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Hodoodo CAT#: H561051

CAS#: 5633-14-7 (HCl)

Description: Benzetimide HCl, also known as EINECS 227-072-8, Spasmentral, and Dioxatrine, is a muscarinic acetylcholine receptor antagonist. Benzetimide HCl has been used to treat neuroleptic-induced parkinsonism. Benzetimide is an enantiomer of dexetimide.

Chemical Structure

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Benzetimide HCl
CAS# 5633-14-7 (HCl)
Instruction

Theoretical Analysis

Hodoodo Cat#: H561051
Name: Benzetimide HCl
CAS#: 5633-14-7 (HCl)
Chemical Formula: C23H27ClN2O2
Exact Mass: 398.18
Molecular Weight: 398.931
Elemental Analysis: C, 69.25; H, 6.82; Cl, 8.89; N, 7.02; O, 8.02

Price and Availability

Size Price Availability Quantity
100mg USD 250 2 weeks
200mg USD 450 2 weeks
500mg USD 950 2 weeks
1g USD 1650 2 weeks
2g USD 2950 2 weeks
5g USD 4650 2 weeks
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Related CAS #: 14051-33-3 (free base)   5633-14-7 (HCl)    

Synonym: Benzetimide HCl; Benzetimide Hydrochloride; EINECS 227-072-8; Spasmentral; Dioxatrine

IUPAC/Chemical Name: 3-(1-benzylpiperidin-4-yl)-3-phenylpiperidine-2,6-dione,hydrochloride

InChi Key: XSOOSXRNMDUWEM-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(C(C1=CC=CC=C1)(C2CCN(CC3=CC=CC=C3)CC2)CC4)NC4=O.[H]Cl

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 32.0 80.21

Preparing Stock Solutions

The following data is based on the product molecular weight 398.93 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Blankesteijn WM, Siero HL, Rodrigues de Miranda JF, van Megen YJ, Russel FG. Characterization of muscarinic receptors in rat kidney. Eur J Pharmacol. 1993 Jan 4;244(1):21-7. PubMed PMID: 8420789.

2: DeHaven-Hudkins DL, Ford-Rice FY, Allen JT, Hudkins RL. Allosteric modulation of ligand binding to [3H](+)pentazocine-defined sigma recognition sites by phenytoin. Life Sci. 1993;53(1):41-8. PubMed PMID: 8515681.