Bromadoline Maleate
Basic information
- CAS
81447-81-6- Standard SMILES
CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.O=C(O)/C=C\C(=O)O- InChIKey
XHCXKGFNPZETQY-VAYAAYOLSA-N- Molecular formula
- C19H25BrN2O5
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.09468
Overview
See also: Bromadoline (has active moiety).
Names & identifiers
- Preferred name
- Bromadoline Maleate
- IUPAC
- 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;(Z)-but-2-enedioic acid
- English name
- Bromadoline
- Molecular formula
- C19H25BrN2O5
- Molecular weight
- 441.32
Names & synonyms
BROMADOLINE MALEATEU-47931E maleateU-47,931E maleate0NLD148UB3U 47,931Etrans-p-Bromo-N-(2-(dimethylamino)cyclohexyl)benzamide maleate (1:1)81447-81-6U-47931ERefChem:121494Bromadoline maleate [USAN]U-47,931EUNII-0NLD148UB3
Show more names
U47U 47931E
SCHEMBL124529CHEMBL2106546BROMADOLINE MALEATE [WHO-DD]Q27237005Benzamide, 4-bromo-N-(2-(dimethylamino)cyclohexyl)-, trans-, (Z)-2-butenedioate (1:1)BENZAMIDE, 4-BROMO-N-(SP2-(DIMETHYLAMINO)CYCLOHEXYL)-, TRANS-, (Z)-2-BUTENEDIOATE (1:1)
Database identifiers
- CAS
81447-81-6- PubChem CID
- 6435403
- ChEMBL
CHEMBL2106546- UNII
- 0NLD148UB3
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- FDA UNII
- 0 NLD148UB3 · 0NLD148UB3
Chemistry & industry
Applications
UsesAnalgesic.
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Related reactions
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Compound notes
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