Chem
J-GLOBAL ID：200907015614651986   Nikkaji number：J10.134F

Nafcillin

ナフシリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H22N2O5S
Molecular formula furigana： C21-H22-N2-O5-S
Molecular weight： 414.480
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
SMILES： CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O
Systematic name  (4)：
  • 6α-[[(2-エトキシ-1-ナフタレニル)カルボニル]アミノ]ペニシラン酸
  • (2S,5R,6R)-6-(2-エトキシ-1-ナフトイルアミノ)-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
  • (2S,5R,6R)-6-(2-エトキシナフタレン-1-アミド)-3,3-ジメチル-7-オキソ-4-チア-1-アザビシクロ[3.2.0]ヘプタン-2-カルボン酸
  • (2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Other name (5)：
  • ナフシリン
  • Nafcillin
  • 6α-[[(2-Ethoxy-1-naphthalenyl)carbonyl]amino]penicillanic acid
  • (2S,5R,6R)-6-(2-Ethoxy-1-naphthoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • NFPC
CAS registry number： 147-52-4
Regulation number (1)：
  • EINECS2056909
KEGG DRUG： D08242
KEGG COMPOUND： C07250
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