Exeporfinium chloride

CAT: 0931-T31735-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T31735-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

718638-68-7

Target

Others, Antibiotic

Related Pathways

Microbiology/Virology, Others

Bioactivity

Exeporfinium chloride (XF-73) is an antimicrobial agent that can weaken bacterial cell walls.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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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Alternative Products

Catalog	Name
319746	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)
3121645	Cobalt chloride (Cobaltous chloride)

Exeporfinium chloride

Chemical Information

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