Basic information
- CAS
84226-04-0- Standard SMILES
CCN1CCC[C@H]1CNC(=O)c1c(O)cccc1OC- InChIKey
MVWKVVFFVMXULU-NSHDSACASA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- (S)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamide
- IUPAC
- N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
- English name
- BENZAMIDE, N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-2-HYDROXY-6-METHOXY-, (S)-
- Molecular formula
- C15H22N2O3
- Molecular weight
- 278.35
Names & synonyms
84226-04-0N-[[(2S)-1-Ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamideCHEMBL8945(S)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamideN-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-HYDROXY-6-METHOXYBENZAMIDESCHEMBL3805660DTXSID40449797BDBM50012964N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamideN-(1-Ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide (BZM)BZMS-(-)-BZM
Show more names
BZM- CROSS REF. TO IBZMS(-)-BZM Discontinued. Please see B802801N-[[(2S)-1-Ethyl-2-pyrrolidinyl]Methyl]-2-hydroxy-6-MethoxybenzaMideS-(-)-2-HYDROXY-6-METHOXY-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]BENZAMIDEBENZAMIDE, N-[[(2S)-1-ETHYL-2-PYRROLIDINYL]METHYL]-2-HYDROXY-6-METHOXY-BENZAMIDE, N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-2-HYDROXY-6-METHOXY-, (S)-Benzamide, N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy-:Benzamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-hydroxy-6-methoxy-, (S)-
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 443 · 443.0±35.0 °C(Predicted)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 14.6 mg/mL · DMSO: 14.6 mg/mL
- form
- semisolid
- pka
- 7.89 · 7.89±0.35(Predicted)
- color
- pale yellow
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesA precursor to radio-iodinated S(–)-IBZM, a D2 dopamine receptor ligand.
Suppliers4 total
凯试(上海)科技有限公司021-50135380 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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