Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Argatroban (USAN:INN:BAN:JAN)
Argatroban Monohydrate · (2r,4r)-4-methyl-1-[n-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-l-arginyl]-2-piperidinecarboxylic acid · GN1600 · AG, SAJ · CS-1966 · US-DMF：035491 · Argatroban API · Acova monohydrate
식별자 및 물리적 특성
| CAS No. | 141396-28-3 |
|---|---|
| 분자식 | C23H38N6O6S |
| 평균 분자량 | 526.7 g/mol |
| 단동위원소 질량 | 526.25735413 g/mol |
| SMILES | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1.O |
| InChIKey | AIEZTKLTLCMZIA-WOXJCXRUNA-N |
| PubChem CID | 92721 |
| EC No. | 687-500-8 |
화학 및 물리적 성질
| 극성 표면적 | 190 |
|---|---|
| 수소 결합 공여자 수 | 6 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 9 |
| 무거운 원자 수 | 36 |
| 형식 전하 | 0 |
| 복잡도 | 887 |
| 녹는점 | 176-180° |
| 저장 조건 | 2-8°C |
| 용해도 | DMSO: ≥20mg/mL |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,779 |
| InChIKey | AIEZTKLTLCMZIA-WOXJCXRUNA-N |
| SMILES | C12NCC(C)CC=1C=CC=C2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CC[C@@H](C)C[C@@H]1C(=O)O.O |&1:15,28,31,r| |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.DangerH223 (25%): Flammable aerosol [Warning Aerosols]P210, P211, P251, P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P337+P317, P362+P364, P410+P412, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Aerosol 2 (25%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TM6126610 |
| 독성 | mouse,LD50,intraperitoneal,475mg/kg (475mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEABLOOD: NORMOCYTIC ANEMIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl, |
| 관세 코드 | 29350090 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Argatroban monohydrate has been used as a thrombin-selective inhibitor in the thrombin assay of platelet poor plasma samples. It may be used as a standard in gradient reversed-phase liquid chromatography coupled with high-resolution multistage mass spectrometry (LC/HR-MSn) for photoproducts fragmentation analysis and as a thrombin inhibitor competitive assay with fullerene-based C60 nanoparticle (NPs).
일반 설명
Argatroban anticoagulant is synthesized from L-arginine and photodegrades under light exposure.