CC1(C(N2C(S1(=O)=O)C(C2=O)(Br)Br)C(=O)O)C
CAS: 76646-91-8
Nom: (2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES: CC1(C(N2C(S1(=O)=O)C(C2=O)(Br)Br)C(=O)O)C

Molecular Processing

Molecular formula
C8H9Br2NO5S
Molecular weight
391.04
Exact mass
388.8568
XLogP
0.3
TPSA
91.75
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
65.64

Supplementary Information

InChIKey: DZYBRGUNKNPEKM-BBIVZNJYSA-N
Synonymes
6,6-Dibromopenicillanic acid sulfone6,6-DIBROMOPENICILLANIC ACID 1,1-DIOXIDEUNII-3KI73KUS8T(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide3KI73KUS8TSulbactam sodium specified impurity E [EP]DTXSID90227466EC 427-200-4(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-SULBACTAM SODIUM IMPURITY E [EP IMPURITY]SULBACTAM SODIUM IMPURITY E (EP IMPURITY)4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-RefChem:103758DTXCID90149957Sulbactam sodium specified impurity E427-200-476646-91-86,6-Dibromopenicillanic Acid S,S-DioxideSulbactam EP Impurity ECHEMBL5201737(2S,5R)-6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(3S)-6,6-DIBROMO-2,2-DIMETHYLPENAM-3-CARBOXYLIC ACID 1,1-DIOXIDE(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-; 6,6-Dibromopenicillanic acid 1,1-dioxide; 6,6-Dibromopenicillanic acid S,S-dioxide; Sulbactam EP Impurity ESCHEMBL4614159BDBM506058374-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6,6-dibromo-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-DB-247037Q27257421(2S,5R)-6,6-Dibromo-3,3-dimethyl-4,4,7-trioxo-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Voir la source →
Impliqué dans 9 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→