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Fenoterol Hydrobromide EP Impurity C

CAT: 1299-RM-F051603-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F051603-01Size:10 mg
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CAS Number
2469196-22-1
Synonyms
(1RS) -1- (3,5-dihydroxyphenyl) -2-[[ (1RS) -2- (4-hydroxy-3- methylphenyl) -1-methylethyl]amino]ethanol
Molecular Formula
C18H23NO4
Molecular Weight
317.38
Target Alternative Name
Fenoterol
Product Name Synonym
(1RS) -1- (3,5-dihydroxyphenyl) -2-[[ (1RS) -2- (4-hydroxy-3- methylphenyl) -1-methylethyl]amino]ethanol

Chemical Information

5-[(1RS)-2-[(1RS)-2-(4-hydroxy-3-methylphenyl)-1-methylethyl]amino-1-hydroxyethyl]benzene-1,3-diol
CAS Number2469196-22-1
PubChem CID139026112
IUPAC Name5-[1-hydroxy-2-[1-(4-hydroxy-3-methylphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
Molecular FormulaC18H23NO4
Molecular Weight317.4
XLogP2.3
Topological Polar Surface Area93
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity344
SMILES
CC1=C(C=CC(=C1)CC(C)NCC(C2=CC(=CC(=C2)O)O)O)O
InChI
InChI=1S/C18H23NO4/c1-11-5-13(3-4-17(11)22)6-12(2)19-10-18(23)14-7-15(20)9-16(21)8-14/h3-5,7-9,12,18-23H,6,10H2,1-2H3
InChIKey
GKPSWMCVKWAJSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(1RS)-2-[(1RS)-2-(4-hydroxy-3-methylphenyl)-1-methylethyl]amino-1-hydroxyethyl]benzene-1,3-diol
CAS: 2469196-22-1
CID: 139026112
Formula: C18H23NO4
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass317.16270821
Monoisotopic Mass317.16270821
Topological Polar Surface Area93 Ų
Heavy Atom Count23
Formal Charge0
Complexity344
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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