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Meticillin

CAT: 0931-T33359-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33359-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
61-32-5
Target
Antibacterial, Others, Antibiotic, Histamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Microbiology/Virology, Others, Immunology/Inflammation
Bioactivity
Methicillin is a narrow-spectrum beta-lactam antibiotic of the penicillin-like family, used to treat infections caused by susceptible gram-positive bacteria, in particular penicillase-producing organisms such as Staphylococcus aureus.
Smiles
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(=O)C3=C(OC)C=CC=C3OC)C2=O)(SC1(C)C)[H]
Molecular Formula
C17H20N2O6S
Molecular Weight
380.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methicillin

Methicillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a methicillin(1-).

CAS Number61-32-5
PubChem CID6087
IUPAC Name(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC17H20N2O6S
Molecular Weight380.4
XLogP1.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity600
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C
InChI
InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1
InChIKey
RJQXTJLFIWVMTO-TYNCELHUSA-N
Chemical Structure
2D Structure
2D structure of Methicillin
CAS: 61-32-5
CID: 6087
Formula: C17H20N2O6S
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass380.10420754
Monoisotopic Mass380.10420754
Topological Polar Surface Area130 Ų
Heavy Atom Count26
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T0234-01Methicillin sodium salt
T73859-01Methicillin sodium hydrate

Alternative Products

CatalogName
GTR19193691-01Meticillin

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