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Olopatadine Impurity 39

CAT: 1299-RM-O162039-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O162039-01Size:10 mg
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CAS Number
111088-69-8
Synonyms
(3-methoxypropyl) triphenylphosphonium bromide
Molecular Formula
C22H24BrOP
Molecular Weight
415.31
Target Alternative Name
Olopatadine
Product Name Synonym
(3-methoxypropyl) triphenylphosphonium bromide

Chemical Information

(3-Methoxypropyl)triphenylphosphonium bromide
CAS Number111088-69-8
PubChem CID21458797
IUPAC Name3-methoxypropyl(triphenyl)phosphanium bromide
Molecular FormulaC22H24BrOP
Molecular Weight415.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity292
SMILES
COCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C22H24OP.BrH/c1-23-18-11-19-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-10,12-17H,11,18-19H2,1H3;1H/q+1;/p-1
InChIKey
LHNDMMYQNGTXEA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (3-Methoxypropyl)triphenylphosphonium bromide
CAS: 111088-69-8
CID: 21458797
Formula: C22H24BrOP
MW: 415.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass414.07481
Monoisotopic Mass414.07481
Topological Polar Surface Area9.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes