CAS 177834-92-3 Eletriptan Hydrobromide (HCID 656631)

기본 정보

CAS: 177834-92-3
표준 SMILES: Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChIKey: UTINOWOSWSPFLJ-FSRHSHDFSA-N
분자식: C22H27BrN2O2S
평균 분자량: 463.4 g/mol
단동위원소 질량: 462.0976612

개요

Eletriptan hydrobromide is a hydrobromide. It has a role as a non-steroidal anti-inflammatory drug, a serotonergic agonist and a vasoconstrictor agent. It contains an eletriptan(1+).

이름 및 식별자

우선 이름: Eletriptan Hydrobromide
IUPAC: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide

이름 및 동의어

Eletriptan hydrobromide177834-92-3Eletriptan HBrM41W832TA3UK-116,044-04NSC-759258(R)-3-((1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole monohydrobromideCHEBI:61176UK-116044-04DTXSID0010161133-(((R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)indole, monohydrobromide5-[2-(phenylsulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole hydrobromide

이름 더 보기

5-(2-(phenylsulfonyl)ethyl)-3-((2R)-pyrrolidin-2-ylmethyl)-1H-indole hydrobromide3-[[(R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]indole, monohydrobromideRefChem:57395DTXCID1014742553-(1-methyl-2-pyrrolidinylmethyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole hydrobromideRelpaxMFCD08141806(R)-3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole hydrobromide

데이터베이스 식별자

CAS: 177834-92-3
PubChem CID: 656631
DTXSID: DTXSID001016113
ChEMBL: CHEMBL1201003
ChEBI: CHEBI:61176

물성

구조 계산 물성보충 중

극성 표면적: 61.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 28
형식 전하: 0
복잡도: 582

실험 및 물리화학적 성질

Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Serotonin Receptor Agonists; Serotonin 5-HT1 Receptor Agonists; Triptans; Vasoconstrictor Agents

FDA approved drugs -> Active ingredient

Collision Cross Section185.2 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (47.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (47.2%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Eletriptan hydrobromide

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

ELETRIPTAN HBR

Serotonin 1d Receptor Agonists [MoA]; Serotonin-1b and Serotonin-1d Receptor Agonist [EPC]; Serotonin 1b Receptor Agonists [MoA]

ELETRIPTAN HYDROBROMIDE

Serotonin 1b Receptor Agonists [MoA]; Serotonin 1d Receptor Agonists [MoA]; Serotonin-1b and Serotonin-1d Receptor Agonist [EPC]

MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.