Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
rac아토목세틴
rac아토목세틴 · rac Atomoxetine · Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine · N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine · N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine · Benzenepropanamine, N-methyl-γ-(2-methylphenoxy)- · N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
식별자 및 물리적 특성
| CAS No. | 63940-51-2 |
|---|---|
| 분자식 | C17H21NO |
| 평균 분자량 | 255.35 g/mol |
| 단동위원소 질량 | 255.16231429 g/mol |
| SMILES | CNCCC(Oc1ccccc1C)c1ccccc1 |
| InChIKey | VHGCDTVCOLNTBX-UHFFFAOYSA-N |
| PubChem CID | 6850813 |
| ChEMBL | CHEMBL299052 |
| EC No. | 691-644-7 |
| DTXSID | DTXSID10861048 |
| 현지명 | rac아토목세틴 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 21.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 237 |
| Kovats Retention Index | 1976.9 |
| 녹는점 | 174 °C |
| 끓는 점 | 389.0±37.0 °C(Predicted) |
| 밀도 | 1.023±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 10.15±0.10(Predicted) |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26066 |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Eye Dam. 1 (100%)Acute Tox. 2 (100%)Repr. 2 (100%)Aquatic Chronic 2 (100%) |
| 신호 어 | Danger |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301 |
용도
용도
rac Atomoxetine is a compound active at novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases.