6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium diiodide
Basic information
- CAS
16240-52-1- Standard SMILES
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-]- InChIKey
DIGFQJFCDPKEPF-YIECZYFASA-L- Molecular formula
- C40H48I2N2O6
- Average molar mass
- 906.6 g/mol
- Monoisotopic mass
- 906.16018
Names & identifiers
- Preferred name
- 6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium diiodide
- IUPAC
- (1R,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 diiodide
Names & synonyms
DTXSID109367006,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium diiodideRefChem:1073555DTXCID20136529916240-52-1Dimethyl l-curine dimethiodideO,O-Dimethylcurine dimethiodideN,N',O,O'-Tetramethylcurinium diiodide(1-beta)-6,6',7',12'-Tetramethoxy-2,2,2',2'-tetramethyltubocuraranium diiodideTubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide, (1-beta)-
Database identifiers
- CAS
16240-52-1- PubChem CID
- 204403
- DTXSID
DTXSID10936700
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,060
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