[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide (CAS 4052-54-4) — formula C16H18N2O5S, molecular weight 350.4; category organic chemicals.
| CAS Number | 4052-54-4 |
|---|---|
| Molecular Formula | C16H18N2O5S |
| Molecular Weight | 350.4 |
| LogP | 0.7 |
| Category | Organic Chemicals |
[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide is a carbon-based organic compound with CAS registry number 4052-54-4 and molecular formula C16H18N2O5S (molecular weight 350.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4052-54-4
Its molecular formula C16H18N2O5S comprises 16 C, 18 H, 2 N, 5 O, 1 S atoms.
Also known as: [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide · 青霉素亚砜
Category: organic chemicals
The CAS registry number of [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide is 4052-54-4.
Molecular formula C16H18N2O5S, molecular weight 350.4.
It is also registered under: [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide, 青霉素亚砜.
Category: Organic Chemicals.
Independent reference data for [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide (CAS 4052-54-4), compiled from public chemistry databases.
| CAS 号 | 4052-54-4 |
|---|---|
| PubChem CID | 107496 |
| 分子式 | C16H18N2O5S |
| IUPAC 名称 | (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| UNII（FDA） | NS00083599 |
| Molecular Weight | 350.4 |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 350.09364285 |
| Monoisotopic Mass | 350.09364285 |
| Topological Polar Surface Area | 123 |
| Heavy Atom Count | 24 |
Penicillin G sulfoxide; 4052-54-4; DTXSID801105936; penicillin G-sulfoxide; RefChem:912814; DTXCID201537602; 223-757-0; Benzylpenicillin R-sulfoxide; Penicillin sulfoxide; Penicillin Impurity 8; Benzylpenicillin S-sulfoxide; EINECS 223-757-0; EINECS 251-828-6; EINECS 257-786-5; 52248-38-1; 6beta-Phenylacetamidopenicillanic acid 1beta-oxide
青霉素亚砜 · CAS 4052-54-4 · C16H18N2O5S. UNII NS00083599.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 青霉素亚砜