기본 정보
- CAS
481047-50-1- 표준 SMILES
Br.CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21- InChIKey
WIHMBLDNRMIGDW-BDQAORGHSA-N- 분자식
- C20H22BrFN2O
- 평균 분자량
- 405.3 g/mol
- 단동위원소 질량
- 404.08995
개요
Escitalopram hydrobromide is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide resulting from the reaction of equimolar amounts of escitalopram and hydrogen bromide. It has a role as an antidepressant and a serotonin uptake inhibitor. It is an enantiomer of a (R)-citalopram hydrobromide.
이름 및 식별자
- 우선 이름
- Escitalopram hydrobromide
- IUPAC
- (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
이름 및 동의어
escitalopram hydrobromide(S)-citalopram hydrobromide481047-50-1SS9JTY593KCHEBI:77423RefChem:1084264Escitalopram (hydrobromide)(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrobromide (1:1), (1S)-5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide, (1S)-(S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromideescitalopram HBr
이름 더 보기
escitalopram.HBrUNII-SS9JTY593KSCHEMBL522164WIHMBLDNRMIGDW-BDQAORGHSA-NQ27146953(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide
데이터베이스 식별자
- CAS
481047-50-1- PubChem CID
- 9844182
- ChEBI
CHEBI:77423- UNII
- SS9JTY593K
물성
구조 계산 물성
- 극성 표면적
- 36.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 466
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