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ortho-Metoprolol

CAT: 0572-TRC-M338800-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338800-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
163685-38-9
Synonyms
Metoprolol Succinate Imp. E (EP); Metoprolol Tartrate Imp. E (EP); Metoprolol Imp. E (EP); (2RS)-1-[2-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol; Metoprolol Succinate Impurity E; Metoprolol Tartrate Impurity E; Metoprolol Impurity E; Metoprolol Impurity E
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
COCCc1ccccc1OCC(O)CNC(C)C
Molecular Formula
C15 H25 N O3
Molecular Weight
267.36
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-7-5-4-6-13(15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
Additionnal Information
IUPAC name: 1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2-(2-Methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol
CAS Number163685-38-9
PubChem CID14029276
IUPAC Name1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC15H25NO3
Molecular Weight267.36
XLogP2.1
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity223
SMILES
CC(C)NCC(COC1=CC=CC=C1CCOC)O
InChI
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-7-5-4-6-13(15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKey
RQZBCLSVVDPFIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(2-Methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol
CAS: 163685-38-9
CID: 14029276
Formula: C15H25NO3
MW: 267.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.36
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass267.18344366
Monoisotopic Mass267.18344366
Topological Polar Surface Area50.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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