기본 정보
- CAS
2451-01-6- 표준 SMILES
CC1(O)CCC(C(C)(C)O)CC1.O- InChIKey
JGKJMBOJWVAMIJ-UHFFFAOYSA-N- 분자식
- C10H22O3
- 평균 분자량
- 190.28 g/mol
- 단동위원소 질량
- 190.15689456
개요
Terpin hydrate is an expectorant, commonly used to loosen mucus and ease congestion in patients presenting with acute or chronic bronchitis, and related pulmonary conditions. It is derived from sources such as turpentine, oregano, thyme and eucalyptus. It was popular in the United States since the late nineteenth century, but was removed from marketed medications in the 1990s after FDA stated that "based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients". Elixirs of terpin hydrate are still available to patients as prescription medications to be prepared by specialty compounding pharmacies.
이름 및 식별자
- 우선 이름
- 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexan-1-ol--water (1/1)
- IUPAC
- 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate
- 영어명
- TERPIN MONOHYDRATE
- 분자식
- C10H20O2.H2O
- 분자량
- 190.28
이름 및 동의어
DTXSID00947401RefChem:1069832DTXCID1013756614-(2-Hydroxypropan-2-yl)-1-methylcyclohexan-1-ol--water (1/1)TERPIN HYDRATE2451-01-6Terpin monohydratep-Menthane-1,8-diol monohydrateTerpin (hydrate)Terpin cis-form hydratecis-Terpin hydrateTerpinol hydrate
이름 더 보기
Terpin DIPENTENEGLYCOLcis-Form hydrateTerpineHydrateBpTerpin 1-hydrate(E)-terpin hydrate
terpinene hydrateMFCD00167312Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, monohydraterel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrateSCHEMBL29867TERPIN HYDRATE [WHO-DD]cis-p-methane-1,8-diol monohydrateCis-p-menthane-1,8-diol monohydrate
데이터베이스 식별자
- CAS
2451-01-6- PubChem CID
- 17141
- DTXSID
DTXSID00947401- ChEMBL
CHEMBL2105614- UNII
- S3V868548T
물성
구조 계산 물성
- 극성 표면적
- 41.5 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
SolubilityPartially soluble in cold water
물리화학적 성질
- 녹는점
- 116 · 116-117°C
- 끓는 점
- 258 ° · bp 258°
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 3.42 g/L · 3.42g/L(25℃)
- Merck
- 14 · 14,9169
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2/t8-,10+;
- InChIKey
- JGKJMBOJWVAMIJ-OFAZAQPOSA-N
- SMILES
- O.CC(C)(O)[C@@H]1CC[C@](C)(O)CC1
화학적 성질
Colorless, lustrous, rhombic, crystalline prisms or white powder; slight characteristic odor; slightly bitter taste. Efflorescent. Soluble in alcohol and ether; slightly soluble in water. Combustible.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- tsca
- Yes
- ridadr
- UN 3265 8 / PGII
- HS 번호
- 2906195000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Pharmacodynamics
It acts to facilitate the removal of mucus from the respiratory tract. It prevents the exacerbation of excessive mucus production and secretion due to airway bacterial or viral infections, asthma or chronic bronchitis. Expectorants like terpin hydrate change mucus consistency and make coughing more productive.
Mechanism of Action
Terpin hydrate improves mucociliary function by working directly on the bronchial secretory cells in the lower respiratory tract to liquify and facilitate the elimination of bronchial secretionsas well as exerting a weak antiseptic effect on the pulmonary parenchyma. It is thought to increase the amount of fluid in the respiratory tract, which increases the flow and clearance of local irritants and as well as reducing the viscosity of mucus.
응용 분야
용도Pharmaceuticals, source of terpineol, medicine (expectorant).
상·하류 제품 정보
하류 제품
공급사64 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司
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