Rizatriptan Benzoate

HCID 77997CAS 145202-66-0

기본 정보

표준 SMILES: CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1
InChIKey: JPRXYLQNJJVCMZ-UHFFFAOYSA-N
분자식: C22H25N5O2
평균 분자량: 391.5 g/mol
단동위원소 질량: 391.20082506

이름 및 식별자

우선 이름: Rizatriptan Benzoate
IUPAC: benzoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

CAS: 145202-66-0
PubChem CID: 77997
DTXSID: DTXSID20162937
ChEMBL: CHEMBL1201032
ChEBI: CHEBI:8875
UNII: WR978S7QHH
EC Number: 604-465-6

물성

구조 계산 물성

극성 표면적: 87 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 29
형식 전하: 0
복잡도: 412

실험 및 물리화학적 성질

Collision Cross Section160.6 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Rizatriptan benzoate

vLess-DILI-concern

No match

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

RIZATRIPTAN BENZOATE

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

RIZATRIPTAN BENZOATE ODT