Exeporfinium chloride

CAT: 0013-GTR19195124-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19195124-01Size:25 mg

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Description

Exeporfinium chloride (XF-73) is a novel antimicrobial compound that disrupts bacterial cell wall integrity. It is utilized in research for studying antimicrobial mechanisms and has demonstrated efficacy in both in vitro assays and in vivo models against drug-resistant pathogens like Staphylococcus aureus.

CAS Number

718638-68-7

Field of Research

Infectious Disease & Virology

Smiles

C[N+] (C) (C) CCCOC (C=C1) =CC=C1C (C2=NC (C=C2) =CC3=CC=C4N3) =C5C=CC (N5) =CC6=NC (C=C6) =C4C7=CC=C (C=C7) OCCC[N+] (C) (C) C.[Cl-].[Cl-]

Molecular Formula

C44H50Cl2N6O2

Molecular Weight

765.81

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Exeporfinium chloride

CAS Number	718638-68-7
PubChem CID	135456185
IUPAC Name	trimethyl-[3-[4-[15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
Molecular Formula	C44H50Cl2N6O2
Molecular Weight	765.8
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	54
Formal Charge	0
Complexity	994

SMILES

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C(N5)C=C6C=CC2=N6)C7=CC=C(C=C7)OCCC[N+](C)(C)C)C=C4)N3.[Cl-].[Cl-]

InChI

InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

KJLHJQGDBJNMPU-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 718638-68-7

CID: 135456185

Formula: C44H50Cl2N6O2

MW: 765.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	765.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	764.3372302
Monoisotopic Mass	764.3372302
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	994
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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T31735-01	Exeporfinium chloride
HY-19850	Exeporfinium (chloride)
AR-E10928-01	Exeporfinium Impurity 2 Chloride
414172	Exeporfinium bromide
AR-E10927-01	Exeporfinium Impurity 1
AR-E10929-01	Exeporfinium Impurity 3 Bromide
189775-01	Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01	TMA chloride-d12 (chloride)
3125490	Tin chloride (stannous chloride)
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Exeporfinium chloride

Chemical Information

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