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 155863-02-8) — formula C20H18BrN3O2S, molecular weight 444.3; category organic chemicals.
| CAS Number | 155863-02-8 |
|---|---|
| Molecular Formula | C20H18BrN3O2S |
| Molecular Weight | 444.3 |
| 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 155863-02-8 and molecular formula C20H18BrN3O2S (molecular weight 444.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 155863-02-8
Its molecular formula C20H18BrN3O2S comprises 20 C, 18 H, 1 Br, 3 N, 2 O, 1 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) · 吡啶鎓,4-[2-[[(6R,7R)-2-[(二苯基甲氧基)羰基]-8-氧代-7-[(2-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-,碘化物(1:1)
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 155863-02-8.
Molecular formula C20H18BrN3O2S, molecular weight 444.3.
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), 吡啶鎓,4-[2-[[(6R,7R)-2-[(二苯基甲氧基)羰基]-8-氧代-7-[(2-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-,碘化物(1:1).
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 155863-02-8), compiled from public chemistry databases.
| CAS Registry Number | 155863-02-8 |
|---|---|
| PubChem CID | 10411183 |
| Molecular formula | C20H18BrN3O2S |
| IUPAC name | 2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-1,3-oxazole bromide |
| Molecular Weight | 444.3 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 443.03031 |
| Monoisotopic Mass | 443.03031 |
| Topological Polar Surface Area | 83.6 |
| Heavy Atom Count | 27 |
1-(2-Isothiocyanatoethyl)-4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]pyridinium bromide; DTXSID40439471; Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-(2-isothiocyanatoethyl)-, bromide (1:1); 1-(2-Isothiocyanatoethyl)-4-(2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl)pyridinium bromide; Pyridinium, 4-(2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl)-1-(2-isothiocyanatoethyl)-, bromide (1:1); RefChem:422296; DTXCID20390293; 634-913-6; 155863-02-8; 4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(2-isothiocyanatoethyl)pyridin-1-ium bromide; 2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-1,3-oxazole;bromide; C20H18BrN3O2S; AT25383; 4-[2-(3,4-DIHYDRO-2H-1-BENZOPYRAN-6-YL)-1,3-OXAZOL-5-YL]-1-(2-ISOTHIOCYANATOETHYL)PYRIDIN-1-IUM BROMIDE; 1-(2-Isothiocyatoethyl)-4-[2-(3,4-dihydro-2H-1-benzopyranyl-6-yl)-5-oxazolyl; 2-chroman-6-yl-5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]oxazole;bromide
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
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 155863-02-8 · C20H18BrN3O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.