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Lauroguadine HCl

CAT: 0013-GTR19199041-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199041-01Size:25 mg
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Description
Lauroguadine hydrochloride is a small molecule compound used as a topical antimicrobial agent in research. It is applied in microbiological studies to investigate its efficacy against various pathogens in both in vitro assays and in vivo experimental models of skin infection.
CAS Number
135-42-2
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.CCCCCCCCCCCCOc1ccc (NC (N) =N) cc1NC (N) =N
Molecular Formula
C20H37ClN6O
Molecular Weight
413.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lauroguadine hydrochloride
CAS Number135-42-2
PubChem CID3081934
IUPAC Name2-[3-(diaminomethylideneamino)-4-dodecoxyphenyl]guanidine;dihydrochloride
Molecular FormulaC20H38Cl2N6O
Molecular Weight449.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count29
Formal Charge0
Complexity432
SMILES
CCCCCCCCCCCCOC1=C(C=C(C=C1)N=C(N)N)N=C(N)N.Cl.Cl
InChI
InChI=1S/C20H36N6O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-14-27-18-13-12-16(25-19(21)22)15-17(18)26-20(23)24;;/h12-13,15H,2-11,14H2,1H3,(H4,21,22,25)(H4,23,24,26);2*1H
InChIKey
ORNKTGGBEWOHQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lauroguadine hydrochloride
CAS: 135-42-2
CID: 3081934
Formula: C20H38Cl2N6O
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass448.2484152
Monoisotopic Mass448.2484152
Topological Polar Surface Area138 Ų
Heavy Atom Count29
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T25639-01Lauroguadine HCl
HY-125557Lauroguadine (hydrochloride)

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