Argatroban (USAN:INN:BAN:JAN)

HCID 92721

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 141396-28-3
표준 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
분자식: C23H38N6O6S
평균 분자량: 526.7 g/mol
단동위원소 질량: 526.25735413

개요

See also: Argatroban (annotation moved to).

이름 및 식별자

우선 이름: Argatroban (USAN:INN:BAN:JAN)
IUPAC: (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate
영어명: Argatroban monohydrate
분자식: C23H36N6O5S.H2O
분자량: 526.65

이름 및 동의어

Argatroban (USAN:INN:BAN:JAN)Argatroban [USAN:INN:BAN:JAN]RefChem:1077180Argatroban monohydrate141396-28-3Argatroban hydrateMFCD00895735ExembolArgatroban (monohydrate)2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, hydrate (1:1), (2R,4R)-(2R,4R)-1-((2S)-5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid hydrate(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate

이름 더 보기

(2r,4r)-4-methyl-1-[n-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-l-arginyl]-2-piperidinecarboxylic acidGN1600AG, SAJCS-1966US-DMF：035491Argatroban APIAcova monohydrateArgatroban (350 mg)API Cas:141396-28-3

Argatroban Injection(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid hydrate(2R,4R)-4-methyl-1-(((3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid hydrate2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, monohydrateArgatroban [USAN](2R,4R)-1-[(2S)-5-carbamimidamido-2-(3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamido)pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrateUNII-IY90U61Z3SArgatra

데이터베이스 식별자

CAS: 141396-28-3
PubChem CID: 92721
UNII: IY90U61Z3S
EC Number: 687-500-8

물성

구조 계산 물성

극성 표면적: 190 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 9
회전 가능 결합 수: 9
무거운 원자 수: 36
형식 전하: 0
복잡도: 887

물리화학적 성질

녹는점: 176 · 176-180°
저장 조건: 2 · 2-8°C
용해도: 20 mg/mL · DMSO: ≥20mg/mL
물리적 상태: 고체
색상: 흰색에서 황백색까지
Merck: 14 · 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

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Danger

H223 (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.

유해성 정보

Hazard Classes and CategoriesAerosol 2 (25%)

안전 데이터

wgk: 3
rtecs: 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,
HS 번호: 29350090
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Argatroban 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 설명Argatroban anticoagulant is synthesized from L-arginine and photodegrades under light exposure.

상·하류 제품 정보

상류 원료

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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