Alcuronium chlorideProduct ingredient for Alcuronium
- Name
- Alcuronium chloride
- Drug Entry
- Alcuronium
A non-depolarizing skeletal muscle relaxant similar to tubocurarine. It is used as an anesthesia adjuvant.
- Accession Number
- DBSALT002830
- Structure
Structure for Alcuronium chloride (DBSALT002830)
- Synonyms
- Alcuronium dichloride
- External IDs
- RO 4-3816 / RO-4-3816 / RO-43816
- UNII
- 490DW6501Y
- CAS Number
- 15180-03-7
- Weight
- Average: 737.81
Monoisotopic: 736.3310823 - Chemical Formula
- C44H50Cl2N4O2
- InChI Key
- CPYGBGOXCJJJGC-GKLGUMFISA-L
- InChI
- InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1
- IUPAC Name
- (1S,9Z,11S,13S,14R,17S,25Z,27S,28E,30R,33S,35S,37E,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2(7),3,5,9,18(23),19,21,25-octaene-14,30-diium dichloride
- SMILES
- [Cl-].[Cl-].[H][C@@]12C[C@@]3([H])\C(C[N@+]1(CC=C)CC[C@@]21C2=C(C=CC=C2)N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])C1=C(C=CC=C1)[C@@]51CC[N@@+]2(CC=C)C\C(=C\CO)[C@]4([H])C[C@@]12[H])=C/CO
- External Links
- ChemSpider
- 20118193
- ChEBI
- 31185
- ChEMBL
- CHEMBL3188339
- Wikipedia
- Alcuronium_chloride
- Predicted Properties
Property Value Source Water Solubility 0.000339 mg/mL ALOGPS logP 1.86 ALOGPS logP -4.3 Chemaxon logS -6.3 ALOGPS pKa (Strongest Acidic) 15.3 Chemaxon pKa (Strongest Basic) 1.52 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 46.94 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 226.64 m3·mol-1 Chemaxon Polarizability 76.14 Å3 Chemaxon Number of Rings 11 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon