Molecular Identity
Methicillin
(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 6087
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-).
2D Structure
Properties
C17H20N2O6S
Molecular Formula
380.40
Molecular Weight
g/mol
380.1042
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
600
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)CIsomeric SMILES
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)CSynonyms(20)
methicillinMeticillinMethycillin61-32-5MetacillinDimocillinMethicillinumMeticilinaMeticillineMeticillinumMeticillina(2,6-Dimethoxyphenyl)penicillin6-(2,6-Dimethoxybenzamido)penicillanic acid(2S,5R,6R)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEBI:6827
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Methicillin
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