Simeprevir RM1 (CAS 1042695-87-3) — formula C32H41N3O5S, molecular weight 579.8; category organic chemicals.
| CAS Number | 1042695-87-3 |
|---|---|
| Molecular Formula | C32H41N3O5S |
| Molecular Weight | 579.8 |
| LogP | 6.1 |
| Category | Organic Chemicals |
Simeprevir RM1 is a carbon-based organic compound with CAS registry number 1042695-87-3 and molecular formula C32H41N3O5S (molecular weight 579.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1042695-87-3
Its molecular formula C32H41N3O5S comprises 32 C, 41 H, 3 N, 5 O, 1 S atoms.
Also known as: Simeprevir RM1 · 西美瑞韦 RM1
Category: organic chemicals
The CAS registry number of Simeprevir RM1 is 1042695-87-3.
Molecular formula C32H41N3O5S, molecular weight 579.8.
It is also registered under: Simeprevir RM1, 西美瑞韦 RM1.
Category: Organic Chemicals.
Independent reference data for Simeprevir RM1 (CAS 1042695-87-3), compiled from public chemistry databases.
| CAS Registry Number | 1042695-87-3 |
|---|---|
| PubChem CID | 46239566 |
| Molecular formula | C32H41N3O5S |
| IUPAC name | methyl (1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxycyclopentane-1-carboxylate |
| Molecular Weight | 579.8 |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 13 |
| Exact Mass | 579.27669259 |
| Monoisotopic Mass | 579.27669259 |
| Topological Polar Surface Area | 119 |
| Heavy Atom Count | 41 |
1042695-87-3; RefChem:352883; SCHEMBL7934082; OHDHGPWHGQPFCD-QPTUXGOLSA-N; DTXSID901100096
| Reported hazard statements | H302 (100%), H413 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Simeprevir RM1 · CAS 1042695-87-3 · C32H41N3O5S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 西美瑞韦 RM1