Cas no 525-94-0 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-)

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- structure
525-94-0 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
CAS No:525-94-0
MF:C14H21N3O6S
MW:359.398042440414
CID:369661
PubChem ID:71724
Update Time:2025-04-19

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Chemical and Physical Properties

Names and Identifiers

    • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
    • Penicillin
    • (2S,5R,6R)-6-[[(5R)-5-amino-5-carboxy-pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • (6R)-6-[[(R)-5-Amino-5-carboxy-1-oxopentyl]amino]penicillanic acid
    • Adicillin
    • Cephalosporin N
    • Synnematin B
    • NSC-113137
    • UNII-NOF9U9EYQ4
    • C06564
    • Adicilina [INN-Spanish]
    • ADICILLIN [WHO-DD]
    • 6-(5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
    • Q27102898
    • Penicillin N;Adicillin
    • Penicillin N
    • Adicillin [INN:BAN]
    • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((5-amino-5-carboxy-1-oxopentyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
    • Adicillinum
    • Adicilline [INN-French]
    • PENICILLIN N [MI]
    • 6-N-((5-Amino-5-carboxy)pentanoyl)aminopenicillansaeure
    • MIFYHUACUWQUKT-GPUHXXMPSA-N
    • CHEBI:18203
    • Adicilina
    • 6-(5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • NOF9U9EYQ4
    • AKOS027326740
    • (D-4-Amino-4-carboxybutyl) penicillinic acid
    • (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Cephalosphorin R
    • NS00011621
    • Salmotin
    • (2S,5R,6R)-6-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • 6beta-[(5R)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid
    • NSC 113137
    • Adicillinum [INN-Latin]
    • ADICILLIN [MART.]
    • 525-94-0
    • DTXSID301023757
    • ADICILLIN [INN]
    • SCHEMBL34373
    • PenicillinN
    • Adicilline
    • Synnematin N
    • (4-Amino-4-carboxybutyl)penicillin
    • CHEMBL2023705
    • (2S,5R,6R)-6-(5-Amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
    • ISOPENICILLIN N
    • (2S,5R,6R)-6-[(5S)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Isopenicilline N
    • Inchi： 1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1
    • InChI Key： MIFYHUACUWQUKT-GPUHXXMPSA-N
    • SMILES： S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)NC(CCC[C@H](C(=O)O)N)=O)=O

Computed Properties

  • Exact Mass: 359.11500
  • Monoisotopic Mass: 359.115106
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 7
  • Complexity: 581
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _2.5
  • Topological Polar Surface Area: 175

Experimental Properties

  • Density: 1.5
  • Boiling Point: 739.2°Cat760mmHg
  • Flash Point: 400.9°C
  • Refractive Index: 1.632
  • PSA: 175.33000
  • LogP: 0.22940

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- Related Literature

Related Categories

525-94-0 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-) Related Products

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