기본 정보
- CAS
69308-37-8- 표준 SMILES
NC[C@H](CC(=O)O)c1ccc(Cl)cc1- InChIKey
KPYSYYIEGFHWSV-QMMMGPOBSA-N- 분자식
- C10H12ClNO2
- 평균 분자량
- 213.66 g/mol
- 단동위원소 질량
- 213.0556563
개요
Arbaclofen is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
이름 및 식별자
- 우선 이름
- Arbaclofen
- IUPAC
- (3R)-4-amino-3-(4-chlorophenyl)butanoic acid
- 영어명
- (R)-Baclofen
- 분자식
- C10H12ClNO2
- 분자량
- 213.66
이름 및 동의어
(R)-BaclofenArbaclofen69308-37-8(R)-4-Amino-3-(4-chlorophenyl)butanoic acidd-Baclofen(-)-Baclofen(R)-(-)-BaclofenR-(-)-Baclofen(3R)-4-amino-3-(4-chlorophenyl)butanoic acidSTX209Baclofen, r-Arbaclofen [USAN]
이름 더 보기
l-Baclofen(R)-baclofen (STX209)(R)-Baclofen USP/EP/BPR-(+)-Baclofen (free base)
Baclofen, (r)-Baclofen, r(-)-ArbaclofeneArbaclofenoSTX 209STX-209Arbaclofen [USAN:INN]NYU6UTW25B
데이터베이스 식별자
- CAS
69308-37-8- PubChem CID
- 44602
- DTXSID
DTXSID90219366- ChEMBL
CHEMBL301742- ChEBI
CHEBI:190735- UNII
- NYU6UTW25B
- EC Number
- 641-399-7
- Nikkaji
- J374.504J
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point206-208 °C
물리화학적 성질
- 녹는점
- 171 · 171-174°C
- 끓는 점
- 364.3 · 364.3±32.0 °C(Predicted)
- 밀도
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 수용성
- 물에 거의 녹지 않음
- 용해도
- 메탄올(약간 용해됨, 초음파 처리), 물(약간 용해됨, 초음파 처리)
- 물리적 상태
- powder to crystaline
- 산도 계수 (pKa)
- 4.04 · 4.04±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- 1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
- InChIKey
- KPYSYYIEGFHWSV-UHFFFAOYSA-N
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (25%)
안전 데이터
- wgk
- WGK 3
- rtecs
- DA8339450
- ridadr
- 2811
- HS 번호
- 2922.49.2600
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Mechanism of ActionArbaclofen, or R-baclofen, acts upstream of the mGluR5 receptor to increase inhibitory neurotransmission. It is the isomer of baclofen which harbors antispastic activity.
Absorption, Distribution and Excretion
Unlike baclofen, absorption of arbaclofen is not limited to the upper small intestine. Arbaclofen can also be absorbed in the lower small intestine and the colon, allowing for the development of sustained release formulations.
>80% of R-baclofen is renally eliminated unchanged.
Blood clearance of an IV bolus of R-baclofen in rats, monkeys, and dogs, resulted in a half life of 1.6-3.4hours, in one study. Total blood clearance was reported to be 0.51±0.13L/h/kg in rats, 0.31±0.11L/h/kg in monkeys, and 0.24±0.01L/h/kg in dogs. (2)
응용 분야
용도(R)-baclofen is a derivative of gamma-aminobutyric acid primarily used to treat spasticity.
공급사103 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
ChemeGen 中国18818260767 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
관련 반응
8건
화합물 노트
불러오는 중…