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(R)-4-Methoxy Propranolol

CAT: 0572-TRC-M267060-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M267060-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
437999-44-5
Hazard Statement
No Data Available
Smiles
COc1ccc(OC[C@H](O)CNC(C)C)c2ccccc12
Molecular Formula
C17 H23 N O3
Molecular Weight
289.37
InChI
InChI=1S/C17H23NO3/c1-12(2)18-10-13(19)11-21-17-9-8-16(20-3)14-6-4-5-7-15(14)17/h4-9,12-13,18-19H,10-11H2,1-3H3/t13-/m1/s1
Additionnal Information
IUPAC name: (2R)-1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(R)-4-Methoxy Propranolol
CAS Number437999-44-5
PubChem CID46782170
IUPAC Name(2R)-1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
Molecular FormulaC17H23NO3
Molecular Weight289.4
XLogP3
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity298
SMILES
CC(C)NC[C@H](COC1=CC=C(C2=CC=CC=C21)OC)O
InChI
InChI=1S/C17H23NO3/c1-12(2)18-10-13(19)11-21-17-9-8-16(20-3)14-6-4-5-7-15(14)17/h4-9,12-13,18-19H,10-11H2,1-3H3/t13-/m1/s1
InChIKey
OWXOFAQEGCLAOX-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-Methoxy Propranolol
CAS: 437999-44-5
CID: 46782170
Formula: C17H23NO3
MW: 289.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass289.16779360
Monoisotopic Mass289.16779360
Topological Polar Surface Area50.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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