(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | CAS No. 68373-14-8

(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide

Basic Information

CAS Number

68373-14-8

Molecular Formula

C8H11NO5S

Molecular Weight

233.24 g/mol

AD

Basic Physical Properties

Melting Point

156°C(dec.)

Boiling Point

567.7±50.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Water Solubility

Soluble in water at 18mg/ml

Flash Point

297.1±30.1 °C

Solubility

H2O: ≥18mg/mL

Refractive Index

1.605

Vapor Pressure

0.0±3.4 mmHg at 25°C

Specific Rotation

+233.0° - +241.0° (c=1, H2O)

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)C

InChI

InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

InChIKey

FKENQMMABCRJMK-RITPCOANSA-N

LogP

-0.794999999999999

Topological Polar Surface Area

91.75000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

446

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • NSC-759886
  • EN300-122646
  • Sulbactam; Sulbactam Acid
  • MLS001304017
  • Penicillanic acid S,S-dioxide
  • SULBACTAM [WHO-DD]
  • MLS001048859
  • CHEBI:9321
  • MFCD00867005
  • NCGC00159336-05
  • (2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Penicillanic Acid Sulfone
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-
  • Sulbactamum [INN-Latin]
  • NSC 759886
  • Sulbactam [INN:BAN]
  • SULBACTAM [MI]
  • Sulbactamum (INN-Latin)
  • (2S,5R)?-?3,3-?dimethyl-?7-?oxo-?4-?thia-?1-?azabicyclo[3.2.0]?heptane-?2-?carboxylic acid 4,4-dioxide
  • A836122
  • (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • SMR000387064
  • AB00698109-06
  • 0RN
  • CP45899
  • Sulbactam (sodium salt)
  • HY-B0334
  • (2S,5R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Tox21_113642
  • DTXSID1023605
  • EINECS 269-878-2

MDL Number

MFCD00867005

Customs Code

2941109900

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