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Metoprolol EP Impurity J

CAT: 1596-AR-M01678-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01678-01Size:25 Units
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CAS Number
163685-37-8
Synonyms
1- (2-hydroxy-3- (4- (2-methoxyethyl) phenoxy) propoxy) -3- (isopropylamino) propan-2-ol;1-[2-Hydroxy-3-[4- (2-methoxyethyl) phenoxy]propoxy]-3-[ (1-methylethyl) amino]-2-propanol; Metoprolol EP Impurity J;3-[2-Hydroxy-3-[4- (2-methoxyethyl) phenoxy]propoxy]-1-isopropylamino-2-propanol (Mixture of Diasteromers) (Metoprolol Impurity J)
Molecular Formula
C18H31NO5
Molecular Weight
341.45
API Name
Metoprolol

Chemical Information

1-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
CAS Number163685-37-8
PubChem CID71724836
IUPAC Name1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC18H31NO5
Molecular Weight341.4
XLogP1.1
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity295
SMILES
CC(C)NCC(COCC(COC1=CC=C(C=C1)CCOC)O)O
InChI
InChI=1S/C18H31NO5/c1-14(2)19-10-16(20)11-23-12-17(21)13-24-18-6-4-15(5-7-18)8-9-22-3/h4-7,14,16-17,19-21H,8-13H2,1-3H3
InChIKey
SETHZMZYJZUIRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol
CAS: 163685-37-8
CID: 71724836
Formula: C18H31NO5
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass341.22022309
Monoisotopic Mass341.22022309
Topological Polar Surface Area80.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity295
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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