Methylaminoantipyrine

HCID 10618CAS 519-98-2

기본 정보

표준 SMILES: CNc1c(C)n(C)n(-c2ccccc2)c1=O
InChIKey: JILCEWWZTBBOFS-UHFFFAOYSA-N
분자식: C12H15N3O
평균 분자량: 217.27 g/mol
단동위원소 질량: 217.12151211

이름 및 식별자

우선 이름: Methylaminoantipyrine
IUPAC: 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
영어명: 1,2-dihydro-1,5-dimethyl-4-(methylamino)-2-phenyl-3H-pyrazol-3-one
분자식: C12H15N3O
분자량: 217.27

이름 및 동의어

Noramidopyrine519-98-2Noraminopyrine4-methylaminoantipyrine4-Methylaminophenazone4-(Methylamino)antipyrine1,5-Dimethyl-4-(methylamino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneMethylaminoantipyrine4-MonomethylaminoantipyrineMonomethylaminoantipyrine4-MonomethylaminophenazoneN-Methylaminophenazone

이름 더 보기

N-MethyMethylaminophenazoneMetamizole Impurity C4-(Methylamino)-antipyrine

1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-oneNER31DE951DTXSID80199865CHEBI:73261RefChem:166542DTXCID40122356208-281-34-Methylamino Antipyrine

데이터베이스 식별자

CAS: 519-98-2
PubChem CID: 10618
DTXSID: DTXSID80199865
ChEMBL: CHEMBL1164701
ChEBI: CHEBI:73261
UNII: NER31DE951
EC Number: 208-281-3
Nikkaji: J25.268I

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 35.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 318

물리화학적 성질

녹는점: 50 · 50-53°C
끓는 점: 324.5 · 324.5±45.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3 (20 ºC 760 Torr)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.76 · 4.76±0.20(Predicted)
색상: 연한 노란색에서 갈색까지

화학적 성질

Pale Orange Low Melting Waxy Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 (100%)

안전 데이터

독성: LD50 oral in mouse: 7gm/kg
위험 등급: IRRITANT

화학 및 산업

약리 정보

Tissue LocationsKidney；Liver

Cellular LocationsExtracellular

용도 및 제조

Uses · 1건

Use (kg) in Switzerland (2009): >10000；Use (kg; approx.) in Germany (2009): ?500000；Consumption (g per capita) in Switzerland (2009): 1.3；Consumption (g per capita; approx.) in Germany (2009): 6.1；Excretion rate: 0.3；Calculated removal (%): 75.1

Use ClassificationPharmaceuticals

상·하류 제품 정보

상류 원료

N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamide 4-아미노안티피린

하류 제품

암모늄 알긴염

공급사50 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

淄博茵泰医药科技有限公司18766946537 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

추가 설명

정의ChEBI: A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole.

연결된 노트

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