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51-83-2 分子结构
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2-(trimethylazaniumyl)ethyl carbamate

ChemBase编号:294
分子式:C6H15N2O2+
平均质量:147.1955
单一同位素质量:147.11335273
SMILES和InChIs

SMILES:
O(CC[N+](C)(C)C)C(=O)N
Canonical SMILES:
NC(=O)OCC[N+](C)(C)C
InChI:
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChIKey:
VPJXQGSRWJZDOB-UHFFFAOYSA-O

引用这个纪录

CBID:294 http://www.chembase.cn/molecule-294.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-(trimethylazaniumyl)ethyl carbamate
IUPAC传统名
carbamyl-choline
商标名
CB
Carbachol USP27
Carbachol chloride
Carbachol hydrochloride
Carbacholin
Carbacholine
Carbacholine chloride
Carbacolina
Carbaminocholine chloride
Carbaminoylcholine chloride
Carbamiotin
Carbamoylcholine chloride
Carbamoylcholine-hydrochloride
Carbamylcholine chloride
Carbastat
Carbastat intraocular
Carbochol
Carbocholin
Carbocholine
Carboptic
Carbyl
Carcholin
Choline carbamate chloride
Choline chloride carbamate
Choline chloride, carbamoyl-
Choline chlorine carbamate
Choline, chloride, carbamate
Coletyl
Doryl
Isopto Carbachol
Jestryl
Karbachol
Karbamoylcholin chlorid
Lentin
Lentine
Miostat
Mistura C
Moryl
P. V. Carbachol
Rilentol
Vasoperif
别名
Carbachol
Carbamyl-Choline
CAS号
51-83-2
PubChem SID
160963757
PubChem CID
2551

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格

理论计算性质

理论计算性质

ALOGPS 2.1 JChem
Log P -2.95  LOG S -2.41 
溶解度 7.06e-01 g/l 
Log P -4.5546894  摩尔折射率 50.0222 cm3
极化性 15.18228 Å3 极化表面积 52.32 Å2
可自由旋转的化学键 里宾斯基五规则 true 
LogD (pH = 5.5) -4.554689  LogD (pH = 7.4) -4.5546737 
Acid pKa 15.226036  质子受体
质子供体

分子性质

分子性质

理化性质 生物活性(PubChem)
溶解度
1 g/ml expand 查看数据来源
疏水性(logP)
-3.78 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00411 external link
Item Information
Drug Groups approved
Description A slowly hydrolyzed cholinergic agonist that acts at both muscarinic and nicotinic receptors. [PubChem]
Indication Primarily used in the treatment of glaucoma, but is also used during ophthalmic surgery.
Pharmacology Carbachol is a potent cholinergic (parasympathomimetic) agent which produces constriction of the iris and ciliary body resulting in reduction in intraocular pressure. The exact mechanism by which carbachol lowers intraocular pressure is not precisely known. In the cat and rat, carbachol is well-known for its ability to induce rapid eye movement (REM) sleep when microinjected into the pontine reticular formation. Carbachol elicits this REM sleep-like state via activation of postsynaptic muscarinic cholinergic receptors (mAChRs).
Toxicity Oral, mouse: LD50 = 15 mg/kg; Oral, rat: LD50 = 40 mg/kg.
Affected Organisms
Humans and other mammals
Absorption Not well absorbed in the gastro-intestinal tract, and does not cross the blood-brain barrier.
External Links
Wikipedia
RxList
Drugs.com
DrugBank -  DB02487 external link
Drug information: experimental

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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