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C-Desmethyl Metoprolol

CAT: 0572-TRC-D292068-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D292068-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109632-08-8
Synonyms
Metoprolol Succinate Imp. A (EP); Metoprolol Tartrate Imp. A (EP); Metoprolol Imp. A (EP); Metoprolol USP Related Compound A; Metoprolol USP RC A; (2RS)-1-(Ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol; Metoprolol Related Compound A; Metoprolol Succinate Impurity A; Metoprolol Tartrate Impurity A; Metoprolol Impurity A; Metoprolol Impurity A
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCNCC(O)COc1ccc(CCOC)cc1
Molecular Formula
C14 H23 N O3
Molecular Weight
253.34
InChI
InChI=1S/C14H23NO3/c1-3-15-10-13(16)11-18-14-6-4-12(5-7-14)8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
Additionnal Information
IUPAC name: 1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(Ethylamino)-3-(4-(2-methoxyethyl)phenoxy)-2-propanol
CAS Number109632-08-8
PubChem CID10377584
IUPAC Name1-(ethylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Molecular FormulaC14H23NO3
Molecular Weight253.34
XLogP1.4
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity193
SMILES
CCNCC(COC1=CC=C(C=C1)CCOC)O
InChI
InChI=1S/C14H23NO3/c1-3-15-10-13(16)11-18-14-6-4-12(5-7-14)8-9-17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKey
HYRRKPFGZHWUPQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Ethylamino)-3-(4-(2-methoxyethyl)phenoxy)-2-propanol
CAS: 109632-08-8
CID: 10377584
Formula: C14H23NO3
MW: 253.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.34
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass253.16779360
Monoisotopic Mass253.16779360
Topological Polar Surface Area50.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity193
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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