Olopatadine Impurity 43

CAT: 1299-RM-O162043-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162043-01Size:10 mg

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CAS Number

51860-45-8

Synonyms

(3-hydroxypropyl) triphenylphosphonium bromide

Molecular Formula

C21H22OP*Br

Molecular Weight

401.28

Target Alternative Name

Olopatadine

Product Name Synonym

(3-hydroxypropyl) triphenylphosphonium bromide

Chemical Information

(3-Hydroxypropyl)triphenylphosphonium bromide

CAS Number	51860-45-8
PubChem CID	11025793
IUPAC Name	3-hydroxypropyl(triphenyl)phosphanium bromide
Molecular Formula	C21H22BrOP
Molecular Weight	401.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	279

SMILES

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

InChI

InChI=1S/C21H22OP.BrH/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,22H,10,17-18H2;1H/q+1;/p-1

InChIKey

AHYDCPUKEAXCKZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 51860-45-8

CID: 11025793

Formula: C21H22BrOP

MW: 401.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	400.05916
Monoisotopic Mass	400.05916
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	279
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