
CAS Number151287-22-8
Synonyms[3-(2-methylpropanoyloxymethyl)phenyl] (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [3-[(2-methyl-1-oxopropoxy)methyl]phenyl] ester; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [3-(isobutyryloxymethyl)phenyl] ester; [3-(2-methylpropanoyloxymethyl)phenyl] (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; Tobicillin [INN]
Molecular FormulaC27H30N2O6S
Molecular Weight510.60200
Purity98.00%
Density1.32g/cm3
Boiling Point700.8ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 151287-22-8 |
| Catalog No. | 2A-9012755 |
| Chinese Name | Tobicillin |
| Synonyms | [3-(2-methylpropanoyloxymethyl)phenyl] (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [3-[(2-methyl-1-oxopropoxy)methyl]phenyl] ester; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [3-(isobutyryloxymethyl)phenyl] ester; [3-(2-methylpropanoyloxymethyl)phenyl] (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; Tobicillin [INN] |
| Molecular Formula | C27H30N2O6S |
| Molecular Weight | 510.60200 |
| Purity | 98.00 |
| Density | 1.32g/cm3 |
| Boiling Point | 700.8ºC at 760mmHg |
| SMILES | CC(C)C(=O)OCc1cccc(OC(=O)C2N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2(C)C)c1 |
| InChI | InChI=1S/C27H30N2O6S/c1-16(2)25(32)34-15-18-11-8-12-19(13-18)35-26(33)22-27(3,4)36-24-21(23(31)29(22)24)28-20(30)14-17-9-6-5-7-10-17/h5-13,16,21-22,24H,14-15H2,1-4H3,(H,28,30)/t21-,22+,24-/m1/s1 |
| InChI Key | MGKUHWMKIYHWOJ-AOHZBQACSA-N |
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