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Metoprolol EP Impurity O

CAT: 1596-AR-M02499-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02499-01Size:25 Units
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CAS Number
154784-36-8
Synonyms
3,3'- (Isopropylazanediyl) bis (1- (4- (2-methoxyethyl) phenoxy) propan-2-ol)
Molecular Formula
C27H41NO6
Molecular Weight
475.62
API Name
Metoprolol

Chemical Information

1,1'-((1-Methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)propan-2-ol)
CAS Number154784-36-8
PubChem CID46782247
IUPAC Name1-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-propan-2-ylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular FormulaC27H41NO6
Molecular Weight475.6
XLogP3.4
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count34
Formal Charge0
Complexity452
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)CC(COC2=CC=C(C=C2)CCOC)O
InChI
InChI=1S/C27H41NO6/c1-21(2)28(17-24(29)19-33-26-9-5-22(6-10-26)13-15-31-3)18-25(30)20-34-27-11-7-23(8-12-27)14-16-32-4/h5-12,21,24-25,29-30H,13-20H2,1-4H3
InChIKey
FPFJXNCXQDHWGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-((1-Methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)propan-2-ol)
CAS: 154784-36-8
CID: 46782247
Formula: C27H41NO6
MW: 475.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight475.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass475.29338803
Monoisotopic Mass475.29338803
Topological Polar Surface Area80.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity452
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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