Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1) (CAS 400827-70-5) — formula C37H31IN4O4S3, molecular weight 818.8; category organic chemicals.
| CAS Number | 400827-70-5 |
|---|---|
| Molecular Formula | C37H31IN4O4S3 |
| Molecular Weight | 818.8 |
| Category | Organic Chemicals |
Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1) is a carbon-based organic compound with CAS registry number 400827-70-5 and molecular formula C37H31IN4O4S3 (molecular weight 818.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400827-70-5
Its molecular formula C37H31IN4O4S3 comprises 37 C, 31 H, 1 I, 4 N, 4 O, 3 S atoms.
Also known as: Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1) · 4-[2-[[(6R,7R)-2-[(二苯基甲氧基)羰基]-8-氧代-7-[(苯基乙酰基)氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-基]硫基]-4-噻唑基]-1-甲基吡啶鎓碘化物（头孢洛林中间体）
Category: organic chemicals
The CAS registry number of Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1) is 400827-70-5.
Molecular formula C37H31IN4O4S3, molecular weight 818.8.
It is also registered under: Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1), 4-[2-[[(6R,7R)-2-[(二苯基甲氧基)羰基]-8-氧代-7-[(苯基乙酰基)氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-基]硫基]-4-噻唑基]-1-甲基吡啶鎓碘化物（头孢洛林中间体）.
Category: Organic Chemicals.
Independent reference data for Pyridinium,4-[2-[[(6R,7R)-2-[(diphenylmethoxy)carbonyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-,iodide(1:1) (CAS 400827-70-5), compiled from public chemistry databases.
| CAS 号 | 400827-70-5 |
|---|---|
| PubChem CID | 138756284 |
| 分子式 | C37H31IN4O4S3 |
| IUPAC 名称 | benzhydryl 3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide |
| Molecular Weight | 818.8 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 818.05522 |
| Monoisotopic Mass | 818.05522 |
| Topological Polar Surface Area | 171 |
| Heavy Atom Count | 49 |
4-[2-[[(6R,7R)-2-[(二苯基甲氧基)羰基]-8-氧代-7-[(苯基乙酰基)氨基]-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-基]硫基]-4-噻唑基]-1-甲基吡啶鎓碘化物（头孢洛林中间体） · CAS 400827-70-5 · C37H31IN4O4S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.