Sinomenine A dimethiodide
Basic information
- CAS
113979-31-0- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3.[I-].[I-]- InChIKey
MSXMISJYCGLIRF-PZCBAQPOSA-L- Molecular formula
- C40H48I2N2O6
- Average molar mass
- 906.6 g/mol
- Monoisotopic mass
- 906.16018
Names & identifiers
- Preferred name
- Sinomenine A dimethiodide
- IUPAC
- (1S,14S)-9,20,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene diiodide
Names & synonyms
Sinomenine A dimethiodideTetrandrine dimethiodideSinomenine A bis(methyl iodide)2,2'-Dimethyltetrandrinium diiodideN,N(sup 1)-Dimethylphaeanthine diiodideTetrandrinium, 2,2'-dimethyl-, diiodideDTXSID50276879Berbamanium, 6,6',7,12-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide, (1-beta)-22445-73-4113979-31-0RefChem:380546DTXCID50228055
Show more names
Berbamanium, 6,6',7,12-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide, (1-beta)-(9CI)6,6',7,12-Tetramethoxy-2,2,2',2'-tetramethyl-1beta-berbaman-2,2'-diium diiodide
Database identifiers
- CAS
113979-31-0、22445-73-4- PubChem CID
- 211155
- DTXSID
DTXSID50276879
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
Related reactions
0 records
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Compound notes
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