Basic information
- CAS
86641-78-3- Standard SMILES
O=C(CCBr)N1CC[N+]2(CC1)CC[N+]1(CCN(C(=O)CCBr)CC1)CC2- InChIKey
JXEICPOBKSQAIU-UHFFFAOYSA-N- Molecular formula
- C18H32Br2N4O2+2
- Average molar mass
- 496.3 g/mol
- Monoisotopic mass
- 494.0892
Names & identifiers
- Preferred name
- Dibrospidium
- IUPAC
- 3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one
Names & synonyms
DibrospidiumDibrospidium ionDibrospidium cationUNII-34R8M96SDC34R8M96SDC86641-78-33,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-DTXSID402357383,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-RefChem:132916DTXCID70158229Spirobromide
Show more names
orb1740978CHEMBL2110925SCHEMBL293787973-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propan-1-oneT68502BRD-K96684644-300-01-7Q272563823,12-Bis(3-bromopropanoyl)-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium
Database identifiers
- CAS
86641-78-3- PubChem CID
- 72115
- DTXSID
DTXSID40235738- ChEMBL
CHEMBL2110925- UNII
- 34R8M96SDC
- Nikkaji
- J419.353I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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