기본 정보
- CAS
81047-99-6- 표준 SMILES
CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12- InChIKey
UMQUQWCJKFOUGV-UHFFFAOYSA-N- 분자식
- C14H21N3O3
- 평균 분자량
- 279.33 g/mol
- 단동위원소 질량
- 279.15829154
개요
CGP 12177 is a benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has a role as a beta-adrenergic antagonist. It is a member of benzimidazoles, an aromatic ether, a secondary alcohol and a secondary amino compound.
이름 및 식별자
- 우선 이름
- 4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
- 현지명
- (+/-)-CGP-12177염산염
- 영어명
- (+/-)-CGP-12177 hydrochloride
- 분자식
- C14H21N3O3
- 분자량
- 279.33
이름 및 동의어
Cgp 12177Tbhpbo81047-99-64-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-oneR89UMZ82MJCHEBI:73288CGP-12177A2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)-1,3-DIHYDROBENZIMIDAZOL-2-ONE2H-Benzimidazol-2-one, 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one
이름 더 보기
(+/-)-CGP-12177염산염CGP12177HClS(-)-CGP-12177TOC CGP 12177(S)-(-)-CGP-12177CGP 12177 hydochlorideCGP 12177 HYDROCHLORIDE(+/-)-CGP-12177 hydrochloride
4-(3-(tert-butylamino)-2-hydroxypropoxy)-1,3-dihydro-2H-benzimidazol-2-one4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2h-benzimidazol-2-oneRefChem:9121122H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-Cgp-12177Cgp 12177A4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one[3H]CGP 12177
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 82.6 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 343
물리화학적 성질
- 녹는점
- 256 °C · >256°C (dec.)
- 끓는 점
- 376.3 · 376.3±37.0 °C(Predicted)
- 밀도
- 1.179 · 1.179
- 저장 조건
- Store at RT
- 용해도
- 10 mg/mL · DMSO: >10mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.48 · 11.48±0.30(Predicted)
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that selectively bind to and activate beta-adrenergic receptors.
Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety.
공급사8 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
重庆卡兰医药有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
추가 설명
정의ChEBI: A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.
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