필로카르핀질산염
필로카르핀질산염 · Nitrat · Pilocarpine nitrate for system suitability CRS · Pilagan · pilofrin · Pilocarpinnitrat · Einecs 205-723-7 · Pilocarpin Nitrate
식별자 및 물리적 특성
| CAS No. | 148-72-1 |
|---|---|
| 분자식 | C11H17N3O5 |
| 평균 분자량 | 271.27 g/mol |
| 단동위원소 질량 | 271.11682064 g/mol |
| SMILES | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O |
| InChIKey | PRZXEPJJHQYOGF-GNAZCLTHSA-N |
| PubChem CID | 657349 |
| ChEMBL | CHEMBL1213136 |
| EC No. | 205-723-7 |
| DTXSID | DTXSID80883277 |
| 현지명 | 필로카르핀질산염 |
화학 및 물리적 성질
| 극성 표면적 | 110 |
|---|---|
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 269 |
| Collision Cross Section | 146.4 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 173,5-174°C |
| 굴절률 | 81 ° (C=2, H2O) |
| 저장 조건 | 2-8°C |
| 용해도 | H2O: 0.1 g/mL, 투명, 매우 희미한 노란색 |
| 물리적 상태 | 가루 |
| 색상 | 하얀색 |
| 용해도 | H2O: 100mg/mL |
| Merck | 14,7424 |
| BRN | 4171406 |
| 주요 응용 | 의약품(소분자) |
| InChI | 1S/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)22-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3(H,2,3,4)/t8-,10-/m0./s1 |
| InChIKey | PRZXEPJJHQYOGF-GNAZCLTHSA-N |
| SMILES | O[N+]([O-])=O.CC[C@H]1[C@H](COC1=O)Cc2cncn2C |
| EPA | Pilocarpine nitrate (148-72-1) |
화학적 성질
White or almost white, crystalline powder or colourless crystals, sensitive to light.
안전 및 규제
| GHS 분류 | DangerH300 (99.1%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P271, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Pilocarpine nitrate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S-cis)-, mononitrate: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 2 (99.1%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TK1455000 |
| 운송 번호(UN) | 3087 |
| 독성 | LD50 oral in rat: 911mg/kg |
| 관세 코드 | 2939800000 |
| 위험 문구(R) | 22-26/28 |
| 위험 표시 | Xn,T+ |
| 안전 문구(S) | 1-25-45 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 2 InhalationAcute Tox. 4 OralOx. Sol. 2 |
| F 고인화성물질 | 3-10 |
| 저장 분류 | 5.1B - Oxidizing hazardous materials |
용도
용도
Pilocarpine nitrate salt has been used to measure bronchoconstriction and M2 and M3 muscarinic receptor function in vivo. It has also been used to induce electrographic and behavioral seizures and to study the different patterns of neuronal activation and neurodegeneration in Proechimys rats and Wistar rats.
일반 설명
Pilocarpine mononitrate occursas shining white crystals that are not hygroscopic butare light sensitive. It is soluble in water (1:4) and alcohol(1:75) but insoluble in chloroform and ether. Aqueoussolutions are slightly acid to litmus and may be sterilizedin the autoclave. The alkaloid is incompatible with alkalies,iodides, silver nitrate, and reagents that precipitatealkaloids.