Cas no 147-52-4 ((2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid)

(2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid structure
147-52-4 structure
Product Name:(2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid
CAS No:147-52-4
MF:C21H22N2O5S
MW:414.474784374237
MDL:MFCD00864927
CID:177392
PubChem ID:8982
Update Time:2025-04-19

(2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
    • NAFCILLIN
    • Nafcillin acid
    • (2-ethoxy-naphthalen-1-yl)-penicillin
    • 6-(2-dimethylamino-propyl)-6,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-5-one
    • 6-(2-Ethoxy-naphth-1-yl-formamino)penicillansaeure
    • Propizepina
    • Propizepina [INN-Spanish]
    • Propizepine
    • Propizepinum
    • Propizepinum [INN-Latin]
    • Vagran 50 Kapseln
    • 6-(2-Ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Nafcilin 1
    • C07250
    • Westwood acid, naphthalene
    • 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
    • (2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid
    • BCP17447
    • CHEBI:7447
    • Naphcillin
    • CS-0009511
    • BRN 0862393
    • Prestwick1_000843
    • BPBio1_000909
    • SCHEMBL47797
    • 147-52-4
    • W-108115
    • (2S,5R,6R)-6-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Nafcillin, Antibiotic for Culture Media Use Only
    • NAFCILLIN [HSDB]
    • Penicillin, (2-ethoxy-1-naphthalenyl)-
    • Epitope ID:141583
    • Nafcillin sodium salt
    • 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((2-ETHOXY-1-NAPHTHALENYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S///
    • Nallpen
    • J01CF06
    • (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
    • Prestwick0_000843
    • Nafcillin (INN)
    • (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-6-(((2-ETHOXY-L-NAPHTHALENYL)CARBONYL)-AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
    • Nafcilline (INN-French)
    • Nafcillinum [INN-Latin]
    • (2-Ethoxy-1-naphthyl)penicillin
    • Nafcillinum (INN-Latin)
    • Nafcilline [INN-French]
    • 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)-
    • EINECS 205-690-9
    • 6beta-(2-ethoxynaphthalene-1-carboxamido)-2,2-dimethylpenam-3alpha-carboxylic acid
    • Penicillin, (2-ethoxy-1-naphthyl)-
    • (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Q1638852
    • (2S,5R,6R)-6-((2-ethoxynaphthalene-1-carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • DTXCID303343
    • Nafcilin-1
    • EN300-24433472
    • HY-B0555
    • AKOS040744845
    • (2S,5R,6R)-6-(((2-ethoxynaphthalen-1-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • NAFCILLIN [MI]
    • Nafcillin [INN:BAN]
    • UNII-4CNZ27M7RV
    • (2S,5R,6R)-6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Nafcilina (INN-Spanish)
    • NAFCILLIN [VANDF]
    • (2S-(2alpha,5alpha,6beta))-6-(((2-ETHOXY-L-NAPHTHALENYL)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
    • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-
    • Nafcilline
    • (2-ethoxy-1-naphthalenyl)penicillin
    • DTXSID8023343
    • nafcillina
    • Nafcilina
    • Naphthamidopenicillin
    • 4CNZ27M7RV
    • Unipen
    • D08242
    • 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)-
    • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2-ethoxy-1-naphthalenyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta))-
    • SPBio_002746
    • BSPBio_000825
    • GTPL10942
    • (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
    • 6-(2-ethoxy-1-naphthamido)penicillanic acid
    • CHEMBL1443
    • Prestwick3_000843
    • NAFCILLIN [WHO-DD]
    • DB00607
    • BRD-K18574842-323-03-3
    • Ethoxynaphthamido Penicillin Sodium
    • BDBM50103525
    • (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
    • NAFCILLIN [INN]
    • Prestwick2_000843
    • Nafcillinum
    • Nafcilina [INN-Spanish]
    • HSDB 3133
    • DA-55983
    • BRD-K18574842-236-17-7
    • BRD-K18574842-323-10-8
    • GLXC-27807
    • MDL： MFCD00864927
    • 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： S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)NC(C1=C(C=CC2C=CC=CC1=2)OCC)=O)=O

Computed Properties

  • Exact Mass: 414.12500
  • Monoisotopic Mass: 414.12494298g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 699
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • Density: 1.42±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.024 g/l) (25 o C),
  • PSA: 121.24000
  • LogP: 2.81260

(2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid Pricemore >>

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(2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid Related Literature

147-52-4 ((2S,5R,6R)-6-(2-ethoxynaphthalene-1-amido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo3.2.0heptane-2-carboxylic acid) Related Products

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