1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate (CAS 42505-79-3) — formula C20H25ClN2O3S2, molecular weight 441.0; category organic chemicals.
| CAS Number | 42505-79-3 |
|---|---|
| Molecular Formula | C20H25ClN2O3S2 |
| Molecular Weight | 441.0 |
| Category | Organic Chemicals |
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate is a carbon-based organic compound with CAS registry number 42505-79-3 and molecular formula C20H25ClN2O3S2 (molecular weight 441.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42505-79-3
Its molecular formula C20H25ClN2O3S2 comprises 20 C, 25 H, 1 Cl, 2 N, 3 O, 2 S atoms.
Also known as: 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate · 1-(8-氯-10,11-二氢二苯并[b,f]噻吩-10-基)-4-甲基哌嗪甲磺酸盐
Category: organic chemicals
The CAS registry number of 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate is 42505-79-3.
Molecular formula C20H25ClN2O3S2, molecular weight 441.0.
It is also registered under: 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate, 1-(8-氯-10,11-二氢二苯并[b,f]噻吩-10-基)-4-甲基哌嗪甲磺酸盐.
Category: Organic Chemicals.
Independent reference data for 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazinium methanesulphonate (CAS 42505-79-3), compiled from public chemistry databases.
| CAS 号 | 42505-79-3 |
|---|---|
| PubChem CID | 198244 |
| 分子式 | C20H25ClN2O3S2 |
| IUPAC 名称 | 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid |
| UNII（FDA） | KLU0VHS3Y4 |
| Molecular Weight | 441.0 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 440.0995127 |
| Monoisotopic Mass | 440.0995127 |
| Topological Polar Surface Area | 94.5 |
| Heavy Atom Count | 28 |
Clorotepine mesylate; KLU0VHS3Y4; 42505-79-3; RefChem:1095940; 255-855-4; Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate (1:1); Clorotepin methanesulfonate; Octoclothepine methanesulfonate; EINECS 255-855-4; UNII-KLU0VHS3Y4; 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazinium methanesulphonate; DTXSID00962538; XQRUOHZMMIUQSB-UHFFFAOYSA-N; 8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate; d,l-8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate; Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate
1-(8-氯-10,11-二氢二苯并[b,f]噻吩-10-基)-4-甲基哌嗪甲磺酸盐 · CAS 42505-79-3 · C20H25ClN2O3S2. UNII KLU0VHS3Y4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.