4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-
CAS Registry Number®
80495-46-1
CAS Name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-Molecular Formula
C21H25N5O8S2.H2O.NaCite this Page
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=80495-46-1 (retrieved ) (CAS RN: 80495-46-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H25N5O8S2.Na.H2O/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;;/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);;1H2/t12-,13-,14+,17-;;/m1../s1
InChIKey
InChIKey=YMKWNBCJJHSEEL-SYNJJEHYSA-N
SMILES
N(C([C@H](NC(=O)N1C(=O)N(S(C)(=O)=O)CC1)C2=CC=CC=C2)=O)[C@H]3[C@@]4(N([C@@H](C(O)=O)C(C)(C)S4)C3=O)[H].[Na].O
Canonical SMILES
[Na].O=C(O)C1N2C(=O)C(NC(=O)C(NC(=O)N3C(=O)N(CC3)S(=O)(=O)C)C=4C=CC=CC4)C2SC1(C)C.O
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, monohydrate, (2S,5R,6R)-
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, monohydrate, [2S-[2α,5α,6β(S*)]]-
- Mezlocillin sodium monohydrate
