3,3'-((Methylenebis(4,1-phenylene))bis(oxy))bis(1-(isopropylamino)propan-2-ol)
Basic information
- CAS
1225195-70-9- Standard SMILES
CC(C)NCC(O)COc1ccc(Cc2ccc(OCC(O)CNC(C)C)cc2)cc1- InChIKey
MNVJIHMQUQYNOM-UHFFFAOYSA-N- Molecular formula
- C25H38N2O4
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.2831577
Names & identifiers
- Preferred name
- 3,3'-((Methylenebis(4,1-phenylene))bis(oxy))bis(1-(isopropylamino)propan-2-ol)
- IUPAC
- 1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- 2-Propanol, 1,1'-[methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-
- Molecular formula
- C25H38N2O4
- Molecular weight
- 430.58
Names & synonyms
1225195-70-91,1'-[Methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-2-propanol]3,3'-((methylenebis(4,1-phenylene))bis(oxy))bis(1-(isopropylamino)propan-2-ol)(RS)-1-[4-[4-(2-Hydroxy-3-isopropylaminopropoxy)benzyl]phenoxy]-3-isopropylaminopropan-2-olU2SM6MX56ACHEMBL581928SCHEMBL28412321Bisoprolol fumarate impurity C [EP impurity]1,1'-[Methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-2-propanol1-[4-[4-(2-Hydroxy-3-isopropylamino-propoxy)benzyl]phenoxy]-3-isopropylaminopropan-2-ol2-Propanol, 1,1'-[methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-3,3'-((methylenebis(4,1-phenylene))bis(oxy))bis(1-(isopropylamino) propan-2-ol)
Show more names
Naphthoic Acid Impurity 20Biso lol EP Impurity C DiHClBisoprolol EP Impurity C HClBisoprolol EP Impurity C DiHClBisoprolol Fumarate EP Impurity C1,1''-[Methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-2-propanol1-{4-[4-(2-Hydroxy-3-isopropylamino-propoxy)-benzyl]-phenoxy}-3-isopropylamino-propan-2-ol
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- FDA UNII
- 2 SM6MX56A · U2SM6MX56A
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Applications
Uses1,1''-[Methylenebis(4,1-phenyleneoxy)]bis[3-[(1-methylethyl)amino]-2-propanol, is an impurtiy of Bisoprolol (B510500), a selective β-adrenergic blocker. Used as an antihypertensive.
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Compound notes
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