기본 정보
- CAS
67346-50-3- 표준 SMILES
COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1- InChIKey
BPZSYCZIITTYBL-BFUOFWGJSA-N- 분자식
- C19H24N2O4
- 평균 분자량
- 344.4 g/mol
- 단동위원소 질량
- 344.17360725
이름 및 식별자
- 우선 이름
- N-(2-Hydroxy-5-((1S)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamide
- IUPAC
- N-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
- 영어명
- Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, [S-(R*,S*)]-
- 분자식
- C19H24N2O4
- 분자량
- 344.4
이름 및 동의어
67346-50-3UNII-ZP145530CIN-(2-Hydroxy-5-((1S)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)formamideZP145530CIDTXSID90217701FORMAMIDE, N-(2-HYDROXY-5-((1S)-1-HYDROXY-2-(((1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)-FORMAMIDE, N-(2-HYDROXY-5-(1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL)-, (S-(R*,S*))-Formamide, N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methylethyl]amino]ethyl]phenyl]-, [S-(R*,S*)]-RefChem:161745DTXCID00140192(S,R)-FormoterolN-[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
이름 더 보기
Formoterol EP Impurity 11Formoterol EP Impurity I (S,R-Isomer)Arformoterol tartrate (1S, 2R) IsomerFormoterol EP Impurity I (S,R-Isomer) ((S,R)-Formoterol)"Formoterol Fumarate Dihydrate EP Impurity I (S,R-isomer) ((S,R)-Formoterol)"
Formoterol Fumarate Dihydrate EP Impurity I (S,R-isomer)(1S,2R)-FormoterolN-(2-hydroxy-5-((S)-1-hydroxy-2-(((R)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamideN-{2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide(S,R) formoterolSCHEMBL117865(S,R)-Formoterol Impurity 11SCHEMBL30969874
데이터베이스 식별자
- CAS
67346-50-3- PubChem CID
- 9862958
- DTXSID
DTXSID90217701- UNII
- ZP145530CI
- Nikkaji
- J817.047I
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
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 603.2 · 603.2±55.0 °C(Predicted)
- 밀도
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.95 · 8.95±0.50(Predicted)
화학 및 산업
응용 분야
용도(1S,2R)-Formoterol-Formoterol is used as an antiasthmatic. (1S,2R)-Formoterol targets the adrenergic receptors.
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