Rizatriptan Benzoate

MAXALT · MK-462 · MK-0462 · Rizatrimptan · MK-462 Benzoate · Rizatriptan API · Rizatriptan Benzoat · Exatecan (Standard)

https://huagongshe.com/ko/chemical/77997

식별자 및 물리적 특성

CAS No.	145202-66-0
분자식	C22H25N5O2
평균 분자량	391.5 g/mol
단동위원소 질량	391.20082506 g/mol
SMILES	CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InChIKey	JPRXYLQNJJVCMZ-UHFFFAOYSA-N
PubChem CID	77997
ChEMBL	CHEMBL1201032
ChEBI	CHEBI:8875
EC No.	604-465-6
DTXSID	DTXSID20162937

화학 및 물리적 성질

극성 표면적	87
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	6
무거운 원자 수	29
형식 전하	0
복잡도	412
Collision Cross Section	160.6 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
녹는점	178-180°C
저장 조건	2-8°C
용해도	H2O: ≥5mg/mL
물리적 상태	가루
색상	흰색에서 베이지색
용해도	H2O: ≥5mg/mL
Merck	14,8241
InChI	InChI=1S/C15H19N5.C7H6O2/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-208-7(9)6-4-2-1-3-5-6/h3-4,7-8,10-11,17H,5-6,9H2,1-2H31-5H,(H,8,9)
InChIKey	JPRXYLQNJJVCMZ-UHFFFAOYSA-N
SMILES	C(C1C=CC=CC=1)(=O)O.C(C1=CNC2C=CC(CN3N=CN=C3)=CC1=2)CN(C)C

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류	DangerH302 (35.6%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (72.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H336 (36.2%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposureNarcotic effects]H360 (38.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]H361 (24.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H372 (35.6%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 10 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.
Hazard Classes and Categories	Acute Tox. 4 (35.6%)Eye Irrit. 2 (72.5%)STOT SE 3 (36.2%)Repr. 1B (38.3%)Repr. 2 (24.8%)STOT RE 1 (35.6%)
Drug Induced Liver Injury	Drug Induced Liver Injury Rank (DILIrank 2.0)Rizatriptan benzoatevLess-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015
수질 위해 등급(WGK)	3
관세 코드	2933995500
위험 문구(R)	61
위험 표시	T
위험 등급	Repr. 1B

용도

개요

Rizatriptan was launched for the first time as Maxalt in Mexico for the acute treatment of migraine headaches with or without aura in adults. It is the third in a new generation of triptan migraine drugs to challenge the firstgeneration product Sumatriptan from Glaxo Wellcome, after Zolmitriptan (Zeneca) and Naratriptan (Glaxo Wellcome). It can be synthetically obtained by two related routes having respectively 3 and 4 steps, both starting from 1 -(4-aminobenzyl)-l,2,4-triazole. Rizatriptan is a full 5-HT1D/1B receptor agonist retaining a significant affinity at 5-HT1A sites (pIC50 = 6.4), with a low affinity for nond-HT sites. It shows craniovascufar selectivity for human isolated middle meningeal over coronary arteries ; its effect on coronary artery constriction is significantly less than that for Sumatriptan. Rizatriptan inhibits the release of neuropeptides that cause swelling of cranial blood vessels. Rizatriptan has a good oral bioavailability (64% and 47% in rats and dogs respectively). and a rapid onset of action : the headache relief in human occurs within 30 to 45 minutes of taking 20 mg. It also relieved nausea and hypersensitivity to noise (phonophobia) and light (photophobia) that are often symptoms accompanying a migraine attack. Among at least 6 metabolites identified in humans after a single oral dose (60 mg), the major urinary metabolite was the corresponding indole-3-acetic acid. Maxalt is available as a novel oral formulation of rapidly dissolving tablets or wafers that does not require liquid for ingestion.

용도

Rizatriptan Benzoate is a selective serotonin 5-HTID receptor agonist and used to treat migraine (1,2,3). It is structurally derived from tryptamine.

일반 설명

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards