Metocurine
Basic information
- CAS
5152-30-7- Standard SMILES
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3- InChIKey
JFXBEKISTKFVAB-AJQTZOPKSA-N- Molecular formula
- C40H48N2O6+2
- Average molar mass
- 652.8 g/mol
- Monoisotopic mass
- 652.35123726
Overview
Metocurine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Metocurine
- IUPAC
- (1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene
- English name
- metocurine
- Molecular formula
- C40H48N2O6+2
- Molecular weight
- 652.81892
Names & synonyms
METOCURINEDimethyltubocurarinium5152-30-7Metocurine ionMetocurine cationDimethyl tubocurarinedimethylchondrocurarineV0M92G2U26Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-DTXSID004826213H-4,6:21,24-Dietheno-8,12-metheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolinium, 2,3,13a,14,15,16,25,25a-octahydro-9,18,19,29-tetramethoxy-1,1,14,14-tetramethyl-, (13aR,25aS)-dimethylcurine
Show more names
Chondocurarine, derivative of6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium(+)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
(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-3,5,8,10,12(34),18(33),19,21,24(32),25,27(31),35-dodecaene-15,30-diium(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-3,5,8,10,12(34),18(33),19,21,24(32),25,27(31),35-dodecaene-15,30-diiumDMCDMRefChem:158378metocurine dichloride(1alpha)-DTXCID1028237O,O-DimethylchondrocurarineCHEBI:6900
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 48
- Formal charge
- 2
- Complexity
- 1,060
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Solubility6.42e-06 g/L
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 678.86 °C · 678.86°C (rough estimate)
- Density
- 1.1209 · 1.1209 (rough estimate)
- refractive index
- 1.467 · 1.4670 (estimate)
- FDA UNII
- 0 M92G2U26 · V0M92G2U26
Chemistry & industry
Pharmacology
Mechanism of Action
Metocurine antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.
MeSH Pharmacological Classification
Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.
Cellular LocationsMembrane
Applications
UsesMetocurine is used for the same indications as tubocurarine. A synonym of this drug is metubine.
Additional notes
DefinitionChEBI: Metocurine is a member of isoquinolines.
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