Grundinformationen
- Standard-SMILES
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1- InChIKey
JPRXYLQNJJVCMZ-UHFFFAOYSA-N- Summenformel
- C22H25N5O2
- Durchschnittliche Molmasse
- 391,5 g/mol
- Monoisotopische Masse
- 391,20082506
Namen und Bezeichner
- Bevorzugter Name
- Rizatriptan Benzoate
- IUPAC
- benzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
Namen und Synonyme
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 BENZOATE
Weitere Namen anzeigen
3-(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
Datenbank-Bezeichner
- CAS
145202-66-0- PubChem CID
- 77997
- DTXSID
DTXSID20162937- ChEMBL
CHEMBL1201032- ChEBI
CHEBI:8875- UNII
- WR978S7QHH
- EC Number
- 604-465-6
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 412
Experimentelle und physikochemische Eigenschaften
Collision Cross Section160.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute 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%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Rizatriptan benzoate
vLess-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Chemie und Industrie
Pharmakologische Informationen
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 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.
Verwendung und Herstellung
UsesUse (kg) in USA (2002): 57；Consumption (g per capita) in the USA (2002): 0.000202；Calculated removal (%): 22.2
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