HCID77997

Rizatriptan Benzoate

benzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine

C22H25N5O2391.5 g/molCAS 145202-66-0

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IDENTITY

结构与身份

标准 SMILES: CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InChIKey: JPRXYLQNJJVCMZ-UHFFFAOYSA-N
分子式: C22H25N5O2
平均分子量: 391.5 g/mol
单同位素质量: 391.20082506

COMPUTED

结构计算性质

已同步

极性表面积: 87 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 412

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

160.6 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H302 (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 exposure; Narcotic 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.

HAZARDS

危害信息

来源：PubChem

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%)

TOXICITY

毒理信息

来源：PubChem

Drug Induced Liver Injury

Drug Induced Liver Injury Rank (DILIrank 2.0)

Rizatriptan benzoate

vLess-DILI-concern

No match

DOI:10.1016/j.drudis.2016.02.015

PHARMACOLOGY

药理信息

来源：PubChem

FDA Pharmacological Classification

RIZATRIPTAN BENZOATE

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

RIZATRIPTAN BENZOATE ODT

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

MeSH Pharmacological Classification

Endogenous 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.

USES

用途与制造

来源：PubChem

Uses

Use (kg) in USA (2002): 57；Consumption (g per capita) in the USA (2002): 0.000202；Calculated removal (%): 22.2

ALIASES

名称与别名

共 100 条

Rizatriptan benzoate145202-66-0Maxalt-MLTRIZAFILMWR978S7QHHNSC-758919L 705126L 705,126L-705,126DTXSID201629371H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, monobenzoateSYMBRAVO COMPONENT RIZATRIPTAN BENZOATE3-(2-(Dimethylamino)ethyl)-5-(1H-1,2,4-triazol-1-ylmethyl)indole monobenzoate3-[2-(Dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)indole monobenzoateRefChem:58236Rizatriptan Benzoate ODTDTXCID80854281H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-, benzoate (1:1)604-465-6Maxalt

REACTIONS

参与反应

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