CID 5992
ESERINE SALICYLATE · Physostigmine-d3 salicylate · Physostigmine salicylate (6CI) · ar-44 · tl-1380 · CCRIS 3405 · Isopto Eserine · EINECS 200-343-8
식별자 및 물리적 특성
| CAS No. | 57-64-7 |
|---|---|
| 분자식 | C22H27N3O5 |
| 평균 분자량 | 413.5 g/mol |
| 단동위원소 질량 | 413.19507097 g/mol |
| SMILES | CNC(=O)Oc1ccc2c(c1)[C@]1(C)CC[NH+](C)[C@@H]1[NH+]2C.O=C([O-])c1ccccc1[O-] |
| InChIKey | HZOTZTANVBDFOF-PBCQUBLHSA-N |
| PubChem CID | 5992 |
화학 및 물리적 성질
| 극성 표면적 | 110 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 530 |
| 녹는점 | 181-183 °C |
| 저장 조건 | -20°C |
| 용해도 | DMF: 30 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml,PBS (pH 7.2): 1 mg/ml |
| pKa(산도 계수) | pKa 1.96/8.08(H2O,t =15) (Uncertain) |
| 물리적 상태 | Solid |
| 색상 | White to yellow |
| 생물학적 소스 | synthetic |
| Merck | 7384 |
| BRN | 3900576 |
| InChIKey | HZOTZTANVBDFOF-DPKVYHSMNA-N |
| SMILES | C12C=C(C=CC=1N(C)[C@@]1([H])N(CC[C@@]21C)C)OC(=O)NC.C1(C(=O)O)=CC=CC=C1O |&1:8,13,r| |
| EPA | Physostigmine salicylate (57-64-7) |
화학적 성질
solid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TJ2450000 |
| 운송 번호(UN) | UN 1544 6.1/PG 1 |
| 독성 | LD50 i.p. in mice: 0.64 mg/kg (Sofia, Knabloch) |
| 관세 코드 | 2939800000 |
| 위험 문구(R) | 26/28 |
| 위험 표시 | T+ |
| 안전 문구(S) | 25-45 |
| 포장분류 | II |
| 위험 등급 | 6.1(a)Acute Tox. 2 InhalationAcute Tox. 2 Oral |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
Physostigmine salicylate (Eserine salicylate) is used as bulk pharmaceuticals (parasympathomimetic, cholinergic, ophthalmic, anti-Alzheimer). Product Data Sheet
일반 설명
The salicylate ofphysostigmine (eserine salicylate) may be prepared byneutralizing an ethereal solution of the alkaloid with anethereal solution of salicylic acid. Excess salicylic acid isremoved from the precipitated product by washing itwith ether. The salicylate is less deliquescent than thesulfate.Physostigmine salicylate occurs as a white, shining,odorless crystal or white powder that is soluble in water(1:75), alcohol (1:16), or chloroform (1:6) but much lesssoluble in ether (1:250). On prolonged exposure to air andlight, the crystals turn red. The red may be removed bywashing the crystals with alcohol, although this causes lossof the compound as well. Aqueous solutions are neutral orslightly acidic and take on a red coloration after a period.The coloration may be taken as an index of the loss of activityof physostigmine solutions.