Sultamicillin tosylate

CAS Registry Number®

83105-70-8

CAS Name

Sultamicillin tosylate

Molecular Formula

C25H30N4O9S2.C7H8O3S

Cite this Page

Sultamicillin tosylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83105-70-8 (retrieved 2024-11-22) (CAS RN: 83105-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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)/t14-,15-,16-,17+,18+,21-;/m1./s1

InChIKey

InChIKey=FFCSPKNZHGIDQM-CGAOXQFVSA-N

SMILES

C(OCOC(=O)[C@@H]1N2[C@](S(=O)(=O)C1(C)C)(CC2=O)[H])(=O)[C@@H]3N4[C@@]([C@H](NC([C@H](N)C5=CC=CC=C5)=O)C4=O)(SC3(C)C)[H].S(=O)(=O)(O)C1=CC=C(C)C=C1

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)

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Deleted or Replaced CAS Registry Numbers

155812-87-6

CAS INSIGHTSTM
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