4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, [2S-[2α,5α,6β(S*)]]-, mono-2-naphthalenesulfonate
CAS Registry Number®
71953-01-0
CAS Name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, [2S-[2α,5α,6β(S*)]]-, mono-2-naphthalenesulfonateMolecular Formula
C24H23N3O6S.C10H8O3SCite this Page
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, [2S-[2α,5α,6β(S*)]]-, mono-2-naphthalenesulfonate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=71953-01-0 (retrieved ) (CAS RN: 71953-01-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H23N3O6S.C10H8O3S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1-7H,(H,11,12,13)/t15-,16-,17+,20-,23?;/m1./s1
InChIKey
InChIKey=ROOMFXLKCBAVMC-WVFSJLEKSA-N
SMILES
C(OC1C=2C(C(=O)O1)=CC=CC2)(=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=CC2=C(C=C1)C=CC=C2
Canonical SMILES
O=C1OC(OC(=O)C2N3C(=O)C(NC(=O)C(N)C=4C=CC=CC4)C3SC2(C)C)C=5C=CC=CC15.O=S(=O)(O)C=1C=CC=2C=CC=CC2C1
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, [2S-[2α,5α,6β(S*)]]-, mono-2-naphthalenesulfonate
- 2-Naphthalenesulfonic acid, compd. with [2S-[2α,5α,6β(S*)]]-1,3-dihydro-3-oxo-1-isobenzofuranyl 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (1:1)
- Talampicillin napsylate
