trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dihydrate dichloride

• ChemBase ID: 102765
• Molecular Formular: C14H34Cl2N2O6
• Molecular Mass: 397.33556
• Monoisotopic Mass: 396.17939218
• SMILES: O.O.[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
• Canonical SMILES: O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C.O.O.[Cl-].[Cl-]
• InChI: InChI=1S/C14H30N2O4.2ClH.2H2O/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6;;;;/h7-12H2,1-6H3;2*1H;2*1H2/q+2;;;;/p-2
• InChIKey: FFSBEIRFVXGRPR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium dihydrate dichloride
• IUPAC Traditional name: succinylcholine dihydrate dichloride
• Synonyms: Succinylcholine chloride dihydrate; Suxamethonium Chloride Dihydrate; (2-Hydroxyethyl)Trimethylammonium Chloride Succinate; Bis(trimethylammonioethyl) succinate chloride; Succinyldicholine dichloride; SUCCINYLCHOLINE CHLORIDE DIHYDRATE

Database IDs

• CAS Number: 6101-15-1; 71-27-2
• EC Number: 200-747-4
• MDL Number: MFCD00150564
• Beilstein Number: 3922827
• PubChem SID: 162090559; 24277873
• PubChem CID: 656867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -8.394079
• LogD (pH = 7.4): -8.394079
• Log P: -8.394079
• Molar Refractivity: 100.9406 cm^3
• Polarizability: 31.004166 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble (unstable at pH > 9.); H2O: soluble0.1 g/mL, clear, colorless
• Apperance: white solid
• Melting Point: 155-166°C; 159-164 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: GA2360000
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Target: AChR

Product Information

• Purity: ≥99.0% (AT); 98.0-102.0%; 98-100%
• Salt Data: Chloride
• Ignition Residue: ≤0.05%
• Linear Formula: [(CH3)3NCH2CH2OCOCH2]2Cl2 · 2H2O

DETAILS

MP Biomedicals - 02102975

Dihydrate
Crystalline
Purity: 98-100%

Sigma Aldrich - S8251

Reconstitution
Solutions may be stored for several days at 4 °C.
Biochem/physiol Actions
Cholinergic antagonist which induces a long-lasting depolarization of the acetylcholine neuron membrane; neuromuscular blocking agent.

Sigma Aldrich - 85980

Other Notes
Succinylcholine-based assay of plasma cholinesterase, EC 3.1.1.8.1