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Meticillin

CAT: 0013-GTR19193691-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193691-01Size:25 mg
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Description
Methicillin is a narrow-spectrum, penicillinase-resistant beta-lactam antibiotic. It is primarily used in research to study infections by susceptible gram-positive bacteria, notably penicillin-resistant Staphylococcus aureus, in both in vitro and in vivo experimental models.
CAS Number
61-32-5
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Neuroscience, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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

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T33359-01Meticillin

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