(2S-(2alpha,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
[CAS# 130030-60-3]

Identification

• Name: (2S-(2alpha,5alpha,6beta))-3,3-Dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
• Synonyms: 4-Amino-N-(6-Methoxy-3-Pyridazinyl)Benzenesulfonamide; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4-Amino-N-(6-Methoxypyridazin-3-Yl)Benzenesulfonamide; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 4-Amino-N-(6-Methoxypyridazin-3-Yl)Benzenesulfonamide; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[2-(Phenoxy)Ethanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₇H₃₀N₆O₈S₂
• Molecular Weight: 630.69
• CAS Registry Number: 130030-60-3
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(=O)O)(C)C.C5=C([S](=O)(=O)NC4=NN=C(OC)C=C4)C=CC(=C5)N
• InChI: 1S/C16H18N2O5S.C11H12N4O3S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);2-7H,12H2,1H3,(H,13,15)/t11-,12+,14-;/m1./s1
• InChIKey: IVJAFAQQEPKQGJ-LQDWTQKMSA-N

Properties

• Boiling point: 681.4°C at 760 mmHg (Cal.)
• Flash point: 365.9°C (Cal.)