Metocurine chlorideProduct ingredient for Metocurine
- Name
- Metocurine chloride
- Drug Entry
- Metocurine
Dimethyltubocurarinium (INN) or metocurine (USAN), also known as dimethyltubocurarine, is a non-depolarizing muscle relaxant. Patients on chronic anticonvulsant drugs are relatively resistant to metocurine. 1
- Accession Number
- DBSALT002349
- Structure
Structure for Metocurine chloride (DBSALT002349)
- Synonyms
- Dimethyl-d-chondrocurarine dichloride / Dimethylchondocurarine dichloride / Dimethyltubocurarinium chloride / N,O,O'-Trimethyltubocurarine chloride / O,O-Dimethylchondrocurarine dichloride
- UNII
- 15BE4G33H2
- CAS Number
- 33335-58-9
- Weight
- Average: 723.73
Monoisotopic: 722.2889427 - Chemical Formula
- C40H48Cl2N2O6
- InChI Key
- IRPSJVWFSWAZSZ-OIUSMDOTSA-L
- InChI
- InChI=1S/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1
- IUPAC Name
- (1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2^{3,6}.1^{8,12}.1^{18,22}.0^{27,31}.0^{16,34}]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24,26,31,35-dodecaene-15,30-diium dichloride
- SMILES
- [Cl-].[Cl-].COC1=CC=C2C[C@@H]3C4=C(OC5=CC=C(C[C@H]6C7=CC(OC1=C2)=C(OC)C=C7CC[N+]6(C)C)C=C5)C(OC)=C(OC)C=C4CC[N+]3(C)C
- External Links
- ChemSpider
- 64941
- ChEMBL
- CHEMBL2105841
- Predicted Properties
Property Value Source Water Solubility 5.98e-06 mg/mL ALOGPS logP 3.65 ALOGPS logP -1.8 Chemaxon logS -8.1 ALOGPS pKa (Strongest Acidic) 12.99 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 55.38 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 211.94 m3·mol-1 Chemaxon Polarizability 72.82 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon