기본 정보
- CAS
38821-49-7- 표준 SMILES
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O- InChIKey
QTAOMKOIBXZKND-PPHPATTJSA-N- 분자식
- C10H16N2O5
- 평균 분자량
- 244.24 g/mol
- 단동위원소 질량
- 244.10592162
개요
Carbidopa is the hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. It has a role as an antiparkinson drug, a dopaminergic agent, an EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor and an antidyskinesia agent. It is a member of hydrazines, a monocarboxylic acid, a member of catechols and a hydrate. It contains a carbidopa (anhydrous).
이름 및 식별자
- 우선 이름
- Carbidopa monohydrate
- IUPAC
- (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
- 영어명
- Carbidopa Monohydrate
- 분자식
- C10H16N2O5
- 분자량
- 244.25
이름 및 동의어
Carbidopa MonohydrateCarbidopa hydrate38821-49-7DTXSID50904589(2S)-2-(3,4-Dihydroxybenzyl)-2-hydrazinopropanoic acid monohydrateRefChem:1081191DTXCID101333716Carbidopa-1-wasserCarbidopa RSCarbidopa CRSMFCD00889211Lodosyn (TN)
이름 더 보기
CARBIDOPA(S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic AcidlodosynKabidopaCARBIDOPA,USPCarbidopa(CEP/FDA)Carbidopa (400 mg)
S-(-)-Carbidopa monohydrate(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate(S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic acid monohydrate(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid--water (1/1)Carbidopa (monohydrate)(S)-(-)-Carbidopa MonohydrateUNII-MNX7R8C5VOCarbidopa; (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid monohydrate
데이터베이스 식별자
- CAS
38821-49-7- PubChem CID
- 38101
- DTXSID
DTXSID50904589
물성
구조 계산 물성
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 261
물리화학적 성질
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 물에 약간 용해되고, 에탄올(96%)에 매우 약간 용해되며, 염화메틸렌에는 거의 용해되지 않습니다. 묽은 무기산 용액에 용해됩니다.
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 제약소분자 약용
- InChI
- InChI=1/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2/t10-;/s3
- InChIKey
- QTAOMKOIBXZKND-MEQOOBBNNA-N
- SMILES
- [C@@](C)(NN)(C(=O)O)CC1C=CC(O)=C(O)C=1.O |&1:0,r|
화학적 성질
white or yellowish-white powder. almost odorless. combined with levodopa for Parkinson's disease and Parkinson's syndrome.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (60.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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)
Aggregated GHS information provided per 108 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (60.2%)
안전 데이터
- wgk
- 3
- rtecs
- MW5300000
- 독성
- mouse,LD50,intraperitoneal,148mg/kg (148mg/kg),SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYEBEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974.
- HS 번호
- 2928002500
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Carbidopa ((S)-(-)-Carbidopa) monohydrate, a peripheral decarboxylase inhibitor, can be used for the research of Parkinson's disease. Carbidopa monohydrate is a selective aryl hydrocarbon receptor (AhR) modulator. Carbidopa monohydrate inhibits pancreatic cancer cell and tumor growth.
일반 설명Carbidopa, (S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid, is a whitecrystalline powder, slightly soluble in water (pKa＝7.8).Carbidopa is absorbed slower than levodopa and is 36%plasma protein bound.Carbidopa is metabolized to twomain metabolites (α-methyl-3-methoxy-4-hydroxyphenylpropionicacid and α-methyl-3,4-dihydroxyphenylpropionicacid). These two metabolites are primarily eliminated in theurine unchanged or as glucuronide conjugates. Unchangedcarbidopa accounts for 30% of the total urinary excretion.No drug interactions have been described.
상·하류 제품 정보
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공급사100 곳
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北京华美互利生物化工
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