Basic information
- Standard SMILES
CC(C)(O)CCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)O- InChIKey
IUWSIQLBTXRUIP-WLHGVMLRSA-N- Molecular formula
- C21H27FN2O6
- Average molar mass
- 422.4 g/mol
Names & identifiers
- Preferred name
- 4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate
- IUPAC
- (E)-but-2-enedioic acid;4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylbutan-2-ol
Names & synonyms
SCHEMBL1545545IUWSIQLBTXRUIP-WLHGVMLRSA-N4 -[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1.2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate
Database identifiers
- PubChem CID
- 21960102
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 491
Related reactions
74 records
Compound notes
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