Antimicrobial Compound 1

CAT: 0013-GTR19206857-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19206857-02Size:5 mg

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Description

Antimicrobial Compound 1 is a 12C-alkyl pyridinium derivative with a 4-carboxyl head group, demonstrating in vitro efficacy against both Gram-positive (B. subtilis) and Gram-negative (E. coli) bacteria, making it a candidate for microbiological and antibacterial mechanism studies.

CAS Number

15237-83-9

Product Name Alternative

Bacterial, Antimicrobial Compound 1

Field of Research

Infectious Disease & Virology, Pharmacology & Drug Discovery

Purity

99.82% (May vary between batches)

Solubility

DMSO:30 mg/mL (80.57 mM)

Smiles

[Br-].O=C (O) C1=CC=[N+] (C=C1) CCCCCCCCCCCC

Molecular Formula

C18H30BrNO2

Molecular Weight

372.34

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-Carboxy-1-dodecylpyridin-1-ium bromide

CAS Number	15237-83-9
PubChem CID	71354163
IUPAC Name	1-dodecylpyridin-1-ium-4-carboxylic acid bromide
Molecular Formula	C18H30BrNO2
Molecular Weight	372.3
Topological Polar Surface Area	41.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	22
Formal Charge	0
Complexity	260

SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)O.[Br-]

InChI

InChI=1S/C18H29NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(20)21;/h12-13,15-16H,2-11,14H2,1H3;1H

InChIKey

RLYQSPYNMCUCAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15237-83-9

CID: 71354163

Formula: C18H30BrNO2

MW: 372.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	372.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	371.14599
Monoisotopic Mass	371.14599
Topological Polar Surface Area	41.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	260
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

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Chemical Information

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