Isoxepac (CAS 55453-87-7) — formula C16H12O4, molecular weight 268.26; category pharmaceutical intermediates and APIs.
Isoxepac is a pharmaceutical intermediate or API compound with CAS registry number 55453-87-7 and molecular formula C16H12O4 (molecular weight 268.26), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 55453-87-7
Its molecular formula C16H12O4 comprises 16 C, 12 H, 4 O atoms.
Also known as: Isoxepac · 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid
Category: pharmaceutical intermediates and APIs
The CAS registry number of Isoxepac is 55453-87-7.
Molecular formula C16H12O4, molecular weight 268.26.
It is also registered under: Isoxepac, 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid.
Category: Pharmaceutical Intermediates.
Public-database records for Isoxepac (CAS 55453-87-7), reproduced here for independent cross-checking.
| Reported hazard statements | H301 (85.7%), H315 (57.1%), H319 (57.1%), H335 (57.1%), H361 (28.6%), H372 (28.6%) |
|---|
H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 55453-87-7 |
|---|---|
| PubChem CID | 41448 |
| 分子式 | C16H12O4 |
| IUPAC 名称 | 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid |
| UNII（FDA） | 2KH283Q0Z5 |
Isoxepac; 55453-87-7; Artil; HP 549; Isoxepacum; HP-549; P 720549; 6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid; Isoxepaco; DTXSID8057772; NSC-300907; 2KH283Q0Z5; Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo-; P-720549; 6,11-Dihydro-11-oxodibenz(b,e)oxepin-2-acetic acid; DTXCID9031561
| 分子量 | 268.26 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 268.07355886 |
| 单同位素质量 | 268.07355886 |
| 拓扑极性表面积 | 63.6 |
| 重原子数 | 20 |
| 形式电荷 | 0 |
Isoxepac · CAS 55453-87-7 · C16H12O4. UNII 2KH283Q0Z5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.