기본 정보
- CAS
67-92-5- 표준 SMILES
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1- InChIKey
CURUTKGFNZGFSE-UHFFFAOYSA-N- 분자식
- C19H35NO2
- 평균 분자량
- 309.5 g/mol
- 단동위원소 질량
- 309.26677936
개요
Dicyclomine is the ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome. It has a role as a muscarinic antagonist, a parasympatholytic and an antispasmodic drug. It is a tertiary amine and a carboxylic ester. It is functionally related to a 2-diethylaminoethanol and a 1,1'-bi(cyclohexyl)-1-carboxylic acid.
이름 및 식별자
- 우선 이름
- Dicyclomine
- IUPAC
- 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
- 현지명
- 디사이클로베린
- 영어명
- dicycloverine
- 분자식
- C19H35NO2
- 분자량
- 309.49
이름 및 동의어
dicyclomineDicycloverineDicycloverin77-19-0DiocylDicicloverinaDicycloverinumDicymine2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylateDTXSID10229264KV4X8IF6V(Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester
이름 더 보기
디사이클로베린C06951WyovinicyclomineDicycloverine-D3,D4Dicycloverine (Dicyclomine)1,1'-Bicyclohexane-1-carboxylic acid 2-(diethylamino)ethyl
[1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarboxylate(1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylateBicyclohexyl-1-carboxylic acid 2-diethylamino-ethyl esterCHEBI:4514DTXCID002926[Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester
데이터베이스 식별자
- CAS
67-92-5、77-19-0- PubChem CID
- 3042
- DTXSID
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 326
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
LogP5.5
Solubility
SOL IN WATER ABOUT 25% /HYDROCHLORIDE/
1 G IN 13 ML WATER, 5 ML ALC, 2.5 ML CHLOROFORM, 770 ML ETHER; INSOL IN ALKALINE AQ MEDIUM /HCL/
3.27e-03 g/L
Human DrugsBreast Feeding; Lactation; Milk, Human; Muscarinic Antagonists; Parasympatholytics
Melting Point165-166
Physical DescriptionSolid
Stability/Shelf LifeSTABLE IN AIR & TO MODERATE HEAT /HYDROCHLORIDE/
Collision Cross Section179.29 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Other Experimental Properties
MP 164-166 °C /HYDROCHLORIDE/
PRACTICALLY ODORLESS & HAS VERY BITTER TASTE /HYDROCHLORIDE/
CRYSTALS FROM BUTANONE /HYDROCHLORIDE/
FINE, WHITE, CRYSTALLINE POWDER /HYDROCHLORIDE/
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
Regulatory InformationREACH registered substance: Dicycloverine (EC: 201-009-4)
Other Safety InformationIMAP assessments - [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Interactions...ANTICHOLINERGIC AGENTS, SUCH AS...DICYCLOMINE...WOULD BE EXPECTED TO INTERACT WITH DIGOXIN...
HepatotoxicityLike other anticholinergic agents, dicyclomine has not been linked to episodes of liver enzyme elevations or clinically apparent liver injury. The metabolism of dicyclomine is not well defined but it is likely metabolized by the liver.
Human Toxicity Excerpts
SIDE EFFECTS OF DICYCLOMINE INCL DIZZINESS, FEELING OF ABDOMINAL FULLNESS, & DRY MOUTH. CONSTIPATION, BLURRED VISION, FATIGUE, SEDATION, NAUSEA, VOMITING, HEADACHE, IMPOTENCE, URINARY RETENTION, & RASH OCCUR RARELY.
THERE IS ONE REPORT THAT WHEN PT UNDER TREATMENT FOR GLAUCOMA OF UNSPECIFIED TYPE WERE GIVEN 10 MG OF DICYCLOVERINE HYDROCHLORIDE ORALLY, THEY HAD RISE OF 3-10 MM HG FOR 2-3 HR. IN MOST CASES NO RISE OF OCULAR PRESSURE HAS BEEN FOUND, REGARDLESS OF TYPE OF GLAUCOMA. /HYDROCHLORIDE/
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Protein BindingData regarding plasma protein binding of dicyclomine is not readily available.
Pharmacodynamics
Dicyclomine is an anticholinergic drug used to relax the smooth muscles of the intestines. It's duration of action is not especially long as it is usually taken 4 times daily with individual doses of 20-40mg orally or 10-20mg by intramuscular injection. Dicyclomine should not be administered intravenously.
Mechanism of Action
Dicyclomine achieves its action partially through direct antimuscarinic activity of the M1, M3, and M2 receptors; and partially through antagonism of bradykinin and histamine. Dicyclomine non-competitively inhibits the action of bradykinin and histamine, resulting in direct action on the smooth muscle, and decreased strength of contractions seen in spasms of the ileum.
...MAJOR ACTION APPEARS TO BE NONSPECIFIC DIRECT RELAXANT ACTION ON SMOOTH MUSLCE RATHER THAN COMPETITIVE ANTAGONISM OF ACH.
Biological Half-LifeThe mean plasma elimination half life is approximately 1.8 hours.
Metabolism/MetabolitesThe metabolism of dicyclomine has not been well researched.
FDA Pharmacological Classification
4KV4X8IF6V
DICYCLOMINE
Established Pharmacologic Class [EPC] - Anticholinergic
Mechanisms of Action [MoA] - Cholinergic Antagonists
Dicyclomine is an Anticholinergic. The mechanism of action of dicyclomine is as a Cholinergic Antagonist.
MeSH Pharmacological Classification
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
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