기본 정보
- CAS
532414-36-1- 표준 SMILES
COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1- InChIKey
BPZSYCZIITTYBL-XRLMYYCKNA-N- 분자식
- C19H24N2O4
- 평균 분자량
- 344.4 g/mol
- 단동위원소 질량
- 344.17360725
개요
See other relationships...
이름 및 식별자
- 우선 이름
- N-(2-Hydroxy-5-((1RS)-1-hydroxy-2-(((1SR)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamide
- IUPAC
- N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
- 영어명
- Formoterol Fumarate Dihydrate EP Impurity I
- 분자식
- C19H24N2O4
- 분자량
- 344.41
이름 및 동의어
532414-36-1N-(2-Hydroxy-5-((1RS)-1-hydroxy-2-(((1SR)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamide676M446L26FORMOTEROL FUMARATE DIHYDRATE IMPURITY I [EP IMPURITY]FORMOTEROL FUMARATE DIHYDRATE IMPURITY I (EP IMPURITY)RefChem:825450(+-)-N-(2-HYDROXY-5-(1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)FORMAMIDErel-(R,S)-Formoterol67346-51-4UNII-G97US9FRYV(R,S)-FormoterolG97US9FRYV
이름 더 보기
Formoterol EP Impurity I (Enantiomer Mixture)anti-rac-Formoterol(±)-(R,S)-FormoterolFormoterol Impurity IArformoterol Impurity 22Formoterol EP Impurity 9Formoterol fumarate Impurity IFormoterol Fumarate EP Impurity IFormoterol EP Impurity I Trifluoroacetate
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamideFormoterol EP Impurity IN-(2-Hydroxy-5-((1R)-1-hydroxy-2-(((1S)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamideN-(2-hydroxy-5-((R)-1-hydroxy-2-(((S)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamiden-[2-hydroxy-5-[(1r)-1-hydroxy-2-[[(1r)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamideN-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamideUNII-676M446L26rel-N-[2-Hydroxy-5-[(1R)-1-hydroxy-2-[[(1S)-2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]formamide; N-[2-Hydroxy-5-[(1RS)-1-hydroxy-2-[[(1SR)-2-(4-methoxyphenyl)-1-methylethyl]amino]-ethyl]phenyl]formamide (Diastereoisomer); Formoterol Fumarate Dihydrate Imp. I (EP)
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 90.8 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 388
물리화학적 성질
- 끓는 점
- 603.2 · 603.2±55.0 °C(Predicted)
- 밀도
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 8.95 · 8.95±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19-/s3
- InChIKey
- BPZSYCZIITTYBL-XRLMYYCKNA-N
- SMILES
- C(NC1=CC([C@@H](O)CN[C@@H](C)CC2=CC=C(OC)C=C2)=CC=C1O)=O |&1:5,9,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P273, P280, P304+P340, P308+P316, P317, P318, P319, P321, 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%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Repr. 2STOT RE 2STOT SE 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도rel-(R,S)-Formoterol is a stereoisomer of Formoterol (F693395). Formoterol is a long-acting inhaled beta-2 agonist (bronchodilator) that is used to treat patients with COPD and asthma.
공급사28 곳
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
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