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Bisoprolol EP Impurity C

CAT: 1596-AR-B01752-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
1797132-90-1
Synonyms
3,3'- ((methylenebis (4,1-phenylene) ) bis (oxy) ) bis (1- (isopropylamino) propan-2-ol) ; 1,1'-[Methylenebis (4,1-phenyleneoxy) ]bis[3- (1-ethylamino) -2-propanol]
Molecular Formula
C25H38N2O4
Molecular Weight
430.58
API Name
Bisoprolol

Chemical Information

3,3'-((Methylenebis(4,1-phenylene))bis(oxy))bis(1-(ethylamino)propan-2-ol)
CAS Number1797132-90-1
PubChem CID131668177
IUPAC Name1-(ethylamino)-3-[4-[[4-[3-(ethylamino)-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
Molecular FormulaC23H34N2O4
Molecular Weight402.5
XLogP3
Topological Polar Surface Area83
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity360
SMILES
CCNCC(COC1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(CNCC)O)O
InChI
InChI=1S/C23H34N2O4/c1-3-24-14-20(26)16-28-22-9-5-18(6-10-22)13-19-7-11-23(12-8-19)29-17-21(27)15-25-4-2/h5-12,20-21,24-27H,3-4,13-17H2,1-2H3
InChIKey
YWEWDYCKMBVUTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-((Methylenebis(4,1-phenylene))bis(oxy))bis(1-(ethylamino)propan-2-ol)
CAS: 1797132-90-1
CID: 131668177
Formula: C23H34N2O4
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass402.25185757
Monoisotopic Mass402.25185757
Topological Polar Surface Area83 Ų
Heavy Atom Count29
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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