Cas no 32887-08-4 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI))

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI) structure
32887-08-4 structure
Product Name:4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI)
CAS No:32887-08-4
MF:C15H24ClN3O3S
MW:361.887361526489
CID:318024
PubChem ID:3084567
Update Time:2025-04-19

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI)
    • (2S,5R,6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,hydrochloride
    • (2S-(2alpha,5alpha,6beta))-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monohydrochloride
    • (2S,5R,6R)-6-{[(1E)-azepan-1-ylmethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid hydrochloride
    • EINECS 251-279-2
    • Amdinocillin;FL 1060
    • SCHEMBL9621192
    • NS00087851
    • 32887-08-4
    • mecillinam hydrochloride
    • Inchi： 1S/C15H23N3O3S.ClH/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17;/h9-11,13H,3-8H2,1-2H3,(H,20,21);1H/b16-9+;/t10-,11+,13-;/m1./s1
    • InChI Key： NJFHBXJMXCUBBY-KYJNKSIQSA-N
    • SMILES： Cl.S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)/N=C/N1CCCCCC1)=O

Computed Properties

  • Exact Mass: 361.123
  • Monoisotopic Mass: 361.123
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 500
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98.5?2

Experimental Properties

  • Boiling Point: 550.6°Cat760mmHg
  • Flash Point: 286.8°C

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI) Related Literature

32887-08-4 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-,monohydrochloride, [2S-(2a,5a,6b)]- (9CI)) Related Products

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