4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
CAS Registry Number®
59446-81-0
CAS Name
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-Molecular Formula
C16H21N3O4S.NaCite this Page
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=59446-81-0 (retrieved ) (CAS RN: 59446-81-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H21N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23);/t9-,10-,11+,14-;/m1./s1
InChIKey
InChIKey=LAGRJECMMPPNOX-YWUHCJSESA-N
SMILES
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C=3CC=CCC3)=O)C2=O)(SC1(C)C)[H].[Na]
Canonical SMILES
[Na].O=C(O)C1N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1(C)C
Other Names for this Substance
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]-
- Epicillin sodium
- Sodium epicillin
- Monosodium epicillin