mzCloud – Methicillin

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Systematic / 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

ID: Reference10020

Other Names: Dimocillin;
Metacillin;
Methcilline;
Methicillin;
Methicillinum ; more

Formula: C₁₇H₂₀N₂O₆S

Methicillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Used Instruments	Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees	1
No. of Spectra	1511
Tandem Spectra	MS¹, MS², MS³, MS⁴
Ionization Methods	NSI
Analyzers	FT
Last Modification	10/29/2020 2:37:02 PM

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
InChI Key	RJQXTJLFIWVMTO-TYNCELHUSA-N
Canonical SMILES	CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)O)C
CAS
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Other Names	Dimocillin; Metacillin; Methcilline; Methicillin; Methicillinum; Methycillin; Meticilina; Meticillin; Meticilline; Meticillinum; Staphcillin; (2,6-Dimethoxyphenyl)penicillin; (2S,5R,6R)-6-[(2,6-Dimethoxybenzene)amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2,6-Dimethoxyphenyl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((2,6-dimethoxybenzoyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2α,5α,6β))-; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,6-dimethoxybenzamido)-3,3,-dimethyl-7-oxo-; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-; 6-(2,3-Dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 6-(2,6-Dimethoxybenzamido)penicillanic acid; 6β-(2,6-Dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylic acid; 6β-(2,6-Dimethoxybenzamido)penicillanic acid; Penicillin, (2,6-dimethoxyphenyl)-