카르비도파메틸에스테르

Methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate

HCID 13589972

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 91431-01-5
표준 SMILES: COC(=O)C(C)(Cc1ccc(O)c(O)c1)NN
InChIKey: IETYBXLXKYRFEN-UHFFFAOYSA-N
분자식: C11H16N2O4
평균 분자량: 240.26 g/mol
단동위원소 질량: 240.111007

이름 및 식별자

우선 이름: Methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
IUPAC: methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
현지명: 카르비도파메틸에스테르
영어명: Carbidopa Methyl Ester
분자식: C11H16N2O4
분자량: 240.26

이름 및 동의어

Carbidopa Methyl Ester91431-01-5methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate(S)-Carbidopa Methyl EsterCarbidopa Imp. E (EP); (S)-alpha-Hydrazino-3,4-dihydroxy-alpha-methyl-benzenepropanoic acid methyl ester; Methyl (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoate; Carbidopa Impurity ETWW64Q3Q5JRacemic carbidopa methyl esterSCHEMBL5834391DTXSID70544522IETYBXLXKYRFEN-UHFFFAOYSA-NMethyl (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoate (Carbidopa Methyl Ester)MFCD28898971

이름 더 보기

카르비도파메틸에스테르Carbidopa Impurity 21Carbidopa Methyl Ester Racemateα-Hydrazino-3,4-dihydroxy-α-MethylhydrocinnaMic Acid Methyl Esterα-Hydrazinyl-3,4-dihydroxy-α-Methylbenzenepropanoic Acid Methyl EsterBenzenepropanoic acid, α-hydrazinyl-3,4-dihydroxy-α-methyl-, methyl ester

FC19697a-Hydrazino-3,4-dihydroxy-a-methylhydrocinnamic acid methymethyl 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propanoateMethyl 3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methyl-propionateMethyl alpha-hydrazinyl-3,4-dihydroxy-alpha-methylbenzenepropanoatea-Hydrazinyl-3,4-dihydroxy-a-methylbenzenepropanoic acid methyl esterBenzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, methyl esterBenzenepropanoic acid, alpha-hydrazinyl-3,4-dihydroxy-alpha-methyl-, methyl ester

데이터베이스 식별자

CAS: 91431-01-5
PubChem CID: 13589972
DTXSID: DTXSID70544522
UNII: TWW64Q3Q5J
EC Number: 828-480-4

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 105 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 274

물리화학적 성질

녹는점: 54 °C · >54°C (dec.)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도: 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 황백색부터 연한 갈색까지
안정성: 흡습성이 매우 높음

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Carbidopa (C175915) prodrug.

공급사18 곳

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

深圳鼎邦化学品有限公司15616500668 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

화합물 노트

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