CAS Registry Number®
83105-70-8
CAS Name
Sultamicillin tosylate
Molecular Formula
C25H30N4O9S2.C7H8O3S
Other Names and Identifiers
InChI
InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)
InChIKey
InChIKey=FFCSPKNZHGIDQM-UHFFFAOYSA-N
SMILES
S(=O)(=O)(O)C1=CC=C(C)C=C1.C(OCOC(=O)C1N2C(S(=O)(=O)C1(C)C)CC2=O)(=O)C3N4C(C(NC(C(N)C5=CC=CC=C5)=O)C4=O)SC3(C)C
Canonical SMILES
O=C(OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C)C3N4C(=O)C(NC(=O)C(N)C=5C=CC=CC5)C4SC3(C)C.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, [[[(2S,6R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]oxy]methyl ester, (2S,5R,6R)-, (4-methylbenzenesulfonate) (1:1)
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [[(3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl)carbonyl]oxy]methyl ester, S,S-dioxide, [2S-[2α(2R*,5S*),5α,6β(S*)]]-, mono(4-methylbenzenesulfonate)
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-aminophenylacetyl]amino]-3,3-dimethyl-7-oxo-, [[[(2S,6R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]oxy]methyl ester, (2S,5R,6R)-, mono(4-methylbenzenesulfonate)
- Sultamicillin tosylate
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, [[(3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl)carbonyl]oxy]methyl ester, [2S-[2α(2R*,5S*),5α,6β(S*)]]-, mono(4-methylbenzenesulfonate)
- Sultamicillin p-toluenesulfonate
- Unacim orale
- Bacimex
- Unacid PD oral
- Bethacil orale
Deleted or Replaced CAS Registry Numbers
155812-87-6
