Olopatadine Impurity 40

CAT: 1299-RM-O162040-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O162040-01Size:10 mg

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CAS Number

7333-67-7

Synonyms

Propane-1,3-diylbis (triphenylphosphonium) bromide

Molecular Formula

C39H36P2*2Br

Molecular Weight

566.66*158.80

Target Alternative Name

Olopatadine

Product Name Synonym

Propane-1,3-diylbis (triphenylphosphonium) bromide

Chemical Information

Trimethylenebis(triphenylphosphonium bromide)

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CAS Number	7333-67-7
PubChem CID	2795061
IUPAC Name	triphenyl(3-triphenylphosphaniumylpropyl)phosphanium dibromide
Molecular Formula	C39H36Br2P2
Molecular Weight	726.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Heavy Atom Count	43
Formal Charge	0
Complexity	572

SMILES

C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-].[Br-]

InChI

InChI=1S/C39H36P2.2BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;;/h1-18,20-31H,19,32-33H2;2*1H/q+2;;/p-2

InChIKey

VHCYVFIHNUYVHU-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 7333-67-7

CID: 2795061

Formula: C39H36Br2P2

MW: 726.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	726.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	726.06385
Monoisotopic Mass	724.06590
Topological Polar Surface Area	0 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	572
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	3
Compound Is Canonicalized	Yes

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Olopatadine Impurity 40

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