Basic information
- CAS
90581-63-8- Standard SMILES
CC(=NOCC(O)CNC(C)(C)C)C1CC1- InChIKey
IYQDIWRBEQWANY-UHFFFAOYSA-N- Molecular formula
- C12H24N2O2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.18377801
Names & identifiers
- Preferred name
- 1-(Tert-butylamino)-3-(1-cyclopropylethylideneamino)oxypropan-2-ol
- IUPAC
- 1-(tert-butylamino)-3-(1-cyclopropylethylideneamino)oxypropan-2-ol
- English name
- Falintolol
- Molecular formula
- C12H24N2O2
- Molecular weight
- 228.33
Names & synonyms
orb1741078SCHEMBL1255816CHEMBL3989528DTXSID408690571-(tert-butylamino)-3-(1-cyclopropylethylideneamino)oxypropan-2-olNS001224271-(tert-Butylamino)-3-{[(1-cyclopropylethylidene)amino]oxy}propan-2-ol88134-91-2ETHANONE,1-CYCLOPROPYL-, O-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPYL]OXIME, [R-(E)]-(9CI)FalintololEthanone, 1-cyclopropyl-, O-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]oxime
Database identifiers
- CAS
90581-63-8- PubChem CID
- 65817
- DTXSID
DTXSID40869057- ChEMBL
CHEMBL3989528
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 343.579 · 343.579±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.075 · 1.075±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.322 · 14.322±0.20(predicted)
- FDA UNII
- 733 BXR9780 · 733BXR9780
Chemistry & industry
Applications
UsesFalintolol is a β-adrenergic receptor antagonist that can be used in glaucoma research[1][2].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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