4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI) (CAS 5053-36-1) — formula C19H18ClN3O4S2, molecular weight 451.9; category organic chemicals.
| CAS Number | 5053-36-1 |
|---|---|
| Molecular Formula | C19H18ClN3O4S2 |
| Molecular Weight | 451.9 |
| LogP | 2.9 |
| Category | Organic Chemicals |
4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI) is a carbon-based organic compound with CAS registry number 5053-36-1 and molecular formula C19H18ClN3O4S2 (molecular weight 451.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5053-36-1
Its molecular formula C19H18ClN3O4S2 comprises 19 C, 18 H, 1 Cl, 3 N, 4 O, 2 S atoms.
Also known as: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI) · 氯唑西林杂质11
Category: organic chemicals
The CAS registry number of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI) is 5053-36-1.
Molecular formula C19H18ClN3O4S2, molecular weight 451.9.
It is also registered under: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI), 氯唑西林杂质11.
Category: Organic Chemicals.
Independent reference data for 4-Thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid, 6-[3-(o-chlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- (7CI,8CI) (CAS 5053-36-1), compiled from public chemistry databases.
| CAS 号 | 5053-36-1 |
|---|---|
| PubChem CID | 169436603 |
| 分子式 | C19H18ClN3O4S2 |
| IUPAC 名称 | (2R,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic S-acid |
| UNII（FDA） | D765USA6QN |
| Molecular Weight | 451.9 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 451.0427261 |
| Monoisotopic Mass | 451.0427261 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 29 |
5053-36-1; Oxacillin Impurity 24; D765USA6QN; Cloxacillin Sodium Impurity 7
氯唑西林杂质11 · CAS 5053-36-1 · C19H18ClN3O4S2. UNII D765USA6QN.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 氯唑西林杂质11