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Lapyrium chloride

CAT: 0013-GTR19261429-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261429-02Size:50 mg
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Description
Lapyrium chloride (Emcol E 607) is a broad-spectrum antibacterial agent that serves as a preservative and disinfectant.
CAS Number
6272-74-8
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
[Cl-].O=C (OCCNC (=O) C[N+]=1C=CC=CC1) CCCCCCCCCCC
Molecular Formula
C21H35ClN2O3
Molecular Weight
398.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lapyrium Chloride

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CAS Number6272-74-8
PubChem CID22659
IUPAC Name2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl dodecanoate chloride
Molecular FormulaC21H35ClN2O3
Molecular Weight399.0
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Heavy Atom Count27
Formal Charge0
Complexity368
SMILES
CCCCCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H
InChIKey
HPKFFZSXDWPVLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lapyrium Chloride
CAS: 6272-74-8
CID: 22659
Formula: C21H35ClN2O3
MW: 399.0
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight399.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count16
Exact Mass398.2336207
Monoisotopic Mass398.2336207
Topological Polar Surface Area59.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes