Nafcillin
2708
Reference
Nafcillin Structure
Systematic / IUPAC Name: (2S,5R,6R)-6-[(2-Ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ID: Reference2708
Other Names:
Nafcil;
Nafcilline;
Nafcillinum;
Nallpen;
Naphcillin
; more
Formula: C21H22N2O5S
Class: Therapeutics/Prescription Drugs
Spectral Data
Nafcillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 6 |
| No. of Spectra | 2542 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 11/20/2015 7:09:41 AM |
Identificators
| InChI | InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1 |
| InChI Key | GPXLMGHLHQJAGZ-JTDSTZFVSA-N |
| Canonical SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O |
| CAS | 147524 |
| Splash | |
| Other Names |
Nafcil; Nafcilline; Nafcillinum; Nallpen; Naphcillin; (2S,5R,6R)-6-({[2-(Ethyloxy)naphthalen-1-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-(2-Ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2-Ethoxy-1-naphthalenyl)penicillin; (2-Ethoxy-1-naphthyl)penicillin; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-; 6β-(2-Ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3α-carboxylic acid; 6-(2-Ethoxy-1-naphthamido)penicillanic acid; 6-[(2-Ethoxy-naphthalene-1-carbonyl)-amino]-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion; Penicillin, (2-ethoxy-1-naphthalenyl)-; Penicillin, (2-ethoxy-1-naphthyl)- |