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기본 정보
- CAS
119618-21-2- 표준 SMILES
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1- InChIKey
XIQVNETUBQGFHX-QFIPXVFZSA-N- 분자식
- C22H31NO3
- 평균 분자량
- 357.5 g/mol
개요
(R)-oxybutynin is a 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin. It has a role as a local anaesthetic, a calcium channel blocker and a cholinergic antagonist. It is an enantiomer of an esoxybutynin.
이름 및 식별자
- 우선 이름
- Aroxybutynin
- IUPAC
- 4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
- 현지명
- (R)-옥시부티닌클로라이드
- 영어명
- (R)-OXYBUTYNIN CHLORIDE
- 분자식
- C22H31NO3
- 분자량
- 357.49
이름 및 동의어
(r)-oxybutyninAroxybutyninOxybutynin, (-)-OXYBUTYNIN, (R)-UNII-5BRQ29UUB7CHEBI:1445524-(diethylamino)but-2-yn-1-yl (2R)-cyclohexyl(hydroxy)phenylacetateRefChem:199631119618-21-2(-)-Oxybutyninr-oxybutynin4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
이름 더 보기
(R)-옥시부티닌클로라이드(R)-OXYBUTYNIN HCLOxybutynin Impurity 7(R)-Oxybutynin hydrochloride4-(diethylamino)but-2-yn-1-yl (R)-2-cyclohexyl-2-hydroxy-2-phenylacetate(αR)-α-Cyclohexyl-α-hydroxybenzeneacetic acid 4-(diethylamino)-2-butin-1-yl esterBenzeneacetic acid, a-cyclohexyl-a-hydroxy-, 4-(diethylamino)-2-butynyl ester, (R)-(R)-α-Phenylcyclohexaneglycolic Acid 4-(Diethylamino)-2-butynyl Ester, Hydrochloride(R)-A-PHENYLCYCLOHEXANEGLYCOLIC ACID 4-(DIETHYLAMINO)-2-BUTYNYL ESTER, HYDROCHLORIDE
5BRQ29UUB7CHEMBL185434(R)-Oxybutynin ChlorideBenzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butyn-1-yl ester, (alphaR)-AroxybutyninaAroxybutynine4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetatearoxybutynin [INN]
데이터베이스 식별자
- CAS
119618-21-2- PubChem CID
- 6098167
- ChEMBL
CHEMBL185434- ChEBI
CHEBI:144552- UNII
- 5BRQ29UUB7
- Nikkaji
- J386.305K
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 490
물리화학적 성질
- 녹는점
- 52 · 52-54°C
- 끓는 점
- 494.4 · 494.4±45.0 °C(Predicted)
- 밀도
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- 저장 조건
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- 용해도
- 클로로포름, (약간 용해됨) 에탄올 (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.95 · 11.95±0.29(Predicted)
- 색상
- 흰색에서 황백색까지
화학적 성질
White Solid
화학 및 산업
응용 분야
용도The optically avtice inhibitor of proliferation and supresses gene expression in bladder smooth muscle cells
공급사16 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海药砌源生物科技有限公司15026428026 19002516454 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
广州瑞芯康化工产品有限责任公司18027422796 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
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