Anethocurarium diiodide
Basic information
- CAS
3571-45-7- Standard SMILES
CC(C)C(Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1.[I-].[I-]- InChIKey
COQKIDBDEICDLB-UHFFFAOYSA-L- Molecular formula
- C27H44I2N2O2
- Average molar mass
- 682.5 g/mol
- Monoisotopic mass
- 682.14922
Names & identifiers
- Preferred name
- Anethocurarium diiodide
- IUPAC
- trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide
- English name
- Anethocurayium
- Molecular formula
- C27H44I2N2O2
- Molecular weight
- 682.4594
Names & synonyms
Anethocurarium diiodideMediatonal3571-45-7UNII-7I7Q7DCH0Z7I7Q7DCH0ZANETHOCURARIUM((Isopropylethylene)bis(p-phenyleneoxyethylene))bis(trimethylammonium iodide)Ammonium, ((isopropylethylene)bis(p-phenyleneoxyethylene))bis(trimethyl-, diiodideN,N'-(p,p'-(1-Isopropylethylenbis)(2-phenoxyethyl)bis(trimethylammonium) diiodidRefChem:199590trimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium;diiodideANETHOCURAYIUM
Show more names
trimethyl-[2-[4-[2-methyl-1-[4-[2-(trimethylammonio)ethoxy]benzyl]propyl]phenoxy]ethyl]ammonium diiodidetrimethyl-[2-[4-[3-methyl-1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]azanium diiodide
SCHEMBL29769322DTXSID30957119Q27268342((ISOPROPYLETHYLENE)BIS(P- PHENYLENEOXYETHYLENE))BIS(TRIMETHYLAMMONIUM IODIDE)AMMONIUM, ((ISOPROPYLETHYLENE)BIS(P- PHENYLENEOXYETHYLENE))BIS(TRIMETHYL-, DIIODIDEN,N'-(P,P'-(1-ISOPROPYLETHYLENBIS)(2- PHENOXYETHYL)BIS(TRIMETHYLAMMONIUM) DIIODID2,2'-[(3-Methylbutane-1,2-diyl)bis(4,1-phenyleneoxy)]bis(N,N,N-trimethylethan-1-aminium) diiodide2,2'-{(3-Methylbutane-1,2-diyl)bis[(4,1-phenylene)oxy]}bis(N,N,N-trimethylethan-1-aminium) diiodide
Database identifiers
- CAS
3571-45-7- PubChem CID
- 19133
- DTXSID
DTXSID30957119- UNII
- 7I7Q7DCH0Z
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- FDA UNII
- 7 I7Q7DCH0Z · 7I7Q7DCH0Z
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Related reactions
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Compound notes
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