(6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate (CAS 22561-27-9) — formula C23H27ClN4O4S3, molecular weight 555.1; category organic chemicals.
| CAS Number | 22561-27-9 |
|---|---|
| Molecular Formula | C23H27ClN4O4S3 |
| Molecular Weight | 555.1 |
| LogP | 2.5 |
| Category | Organic Chemicals |
(6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate is a carbon-based organic compound with CAS registry number 22561-27-9 and molecular formula C23H27ClN4O4S3 (molecular weight 555.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 22561-27-9
Its molecular formula C23H27ClN4O4S3 comprises 23 C, 27 H, 1 Cl, 4 N, 4 O, 3 S atoms.
Also known as: (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate · (6R,7R)-7-[[2-(3-氯苯基)乙酰基]氨基]-3-[(4,4-二甲基2,3,5,6-四氢吡嗪-1-硫硫酰基)硫烷基甲基]-8-氧代-5-硫杂-1-氮杂二环基[4.2.0]辛-2-烯-2-甲酸酯
Category: organic chemicals
The CAS registry number of (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate is 22561-27-9.
Molecular formula C23H27ClN4O4S3, molecular weight 555.1.
It is also registered under: (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-7-[[2-(3-氯苯基)乙酰基]氨基]-3-[(4,4-二甲基2,3,5,6-四氢吡嗪-1-硫硫酰基)硫烷基甲基]-8-氧代-5-硫杂-1-氮杂二环基[4.2.0]辛-2-烯-2-甲酸酯.
Category: Organic Chemicals.
Independent reference data for (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethyl2,3,5,6-te trahydropyrazine-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylate (CAS 22561-27-9), compiled from public chemistry databases.
| CAS 号 | 22561-27-9 |
|---|---|
| PubChem CID | 193012 |
| 分子式 | C23H27ClN4O4S3 |
| IUPAC 名称 | (6R,7R)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| UNII（FDA） | 7PHG6N6UM8 |
| Molecular Weight | 555.1 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 554.0882966 |
| Monoisotopic Mass | 554.0882966 |
| Topological Polar Surface Area | 175 |
| Heavy Atom Count | 35 |
Cephachlomezine; cefaclomezine; 22561-27-9; 7PHG6N6UM8; 7-(m-Chlorophenylacetamido)-3-(4,4-dimethylpiperazinium-1-thiocarbonyl-thiomethyl)-3-cephem-4-carboxylate; RefChem:124363; UNII-7PHG6N6UM8; SCHEMBL29382713; DTXSID30945213; Q27268681
(6R,7R)-7-[[2-(3-氯苯基)乙酰基]氨基]-3-[(4,4-二甲基2,3,5,6-四氢吡嗪-1-硫硫酰基)硫烷基甲基]-8-氧代-5-硫杂-1-氮杂二环基[4.2.0]辛-2-烯-2-甲酸酯 · CAS 22561-27-9 · C23H27ClN4O4S3. UNII 7PHG6N6UM8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.