Olopatadine Impurity 24

CAT: 1299-RM-O162024-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162024-01Size:10 mg

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CAS Number

145126-87-0

Synonyms

(3- (methylamino) propyl) triphenylphosphonium bromide

Molecular Formula

C22H25NP*Br

Molecular Weight

334.42*79.90

Target Alternative Name

Olopatadine

Product Name Synonym

(3- (methylamino) propyl) triphenylphosphonium bromide

Chemical Information

[3-(Methylamino)propyl]triphenylphosphonium Bromide

CAS Number	145126-87-0
PubChem CID	17996956
IUPAC Name	3-(methylamino)propyl-triphenylphosphanium bromide
Molecular Formula	C22H25BrNP
Molecular Weight	414.3
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	292

SMILES

CNCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H25NP.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;/h2-10,12-17,23H,11,18-19H2,1H3;1H/q+1;/p-1

InChIKey

COPZBGVEAWELFU-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 145126-87-0

CID: 17996956

Formula: C22H25BrNP

MW: 414.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	413.09080
Monoisotopic Mass	413.09080
Topological Polar Surface Area	12 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-O01273-01	Alpha-Hydroxy Olopatadine (Olopatadine Impurity A)
AR-M03260-01	Olopatadine Impurity 4
AR-O08833-01	Olopatadine N-Desmethyl Impurity
AR-O08844-01	Olopatadine 2-propionic acid Impurity
008695	N-Desmethyl Olopatadine Methyl Ester Trifluoroacetic Acid (Olopatadine Impurity 32)
sc-478660	Olopatadine
B1576-50	Olopatadine HCl
FO26556	(E) -Olopatadine
HY-W062109S	Olopatadine-d6
256102-01	Olopatadine hydrochloride