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532-77-4 分子结构
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1-(cyclohexylamino)propan-2-yl benzoate

ChemBase编号:356
分子式:C16H23NO2
平均质量:261.35932
单一同位素质量:261.17287898
SMILES和InChIs

SMILES:
O(C(CNC1CCCCC1)C)C(=O)c1ccccc1
Canonical SMILES:
CC(OC(=O)c1ccccc1)CNC1CCCCC1
InChI:
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
InChIKey:
DKLKMKYDWHYZTD-UHFFFAOYSA-N

引用这个纪录

CBID:356 http://www.chembase.cn/molecule-356.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
1-(cyclohexylamino)propan-2-yl benzoate
IUPAC传统名
@hexylcaine
hexylcaine
商标名
Cyclaine
Hexilcaina [INN-Spanish]
Hexylcaine hydrochloride
Hexylcainum [INN-Latin]
Osmocaine
别名
Hexylcaine
CAS号
532-77-4
PubChem SID
160963819
46506241
PubChem CID
10770
CHEMBL
1197
Chemspider ID
10315
DrugBank ID
DB00473
KEGG ID
C14172
美国药典/FDA物质标识码
511IU0826Z
维基百科标题
Hexylcaine

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

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 0.6174143  LogD (pH = 7.4) 1.425658 
Log P 3.8281648  摩尔折射率 76.2407 cm3
极化性 30.28334 Å3 极化表面积 38.33 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 3.04  LOG S -4.43 
溶解度 9.71e-03 g/l 

分子性质

分子性质

理化性质 药理学性质 生物活性(PubChem)
疏水性(logP)
3.9 expand 查看数据来源
半衰期
<10 minutes expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00473 external link
Item Information
Drug Groups approved
Description Hexylcaine hydrochloride, also called cyclaine (Merck) or osmocaine, is a short-acting local anesthetic. It acts by inhibiting sodium channel conduction. Overdose can lead to headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function.
Indication Used as a local anesthetic for surface application, infiltration or nerve block
Pharmacology Hexylcaine is a local ester-class anesthetic. Local anesthetics produce a transient block of nerve conduction by interfering with sodium channels. This effect of the anesthetic interferes with the development of an action potential across the nerve.
Toxicity Symptoms of anesthetic overdose include headache, tinnitus, circumoral and tongue paresthesias, restlessness, talkativeness, facial twitching, convulsions, respiratory arrest, and cardiac depression
Affected Organisms
Humans and other mammals
Biotransformation Hydrolyzed by plasma esterases to benzoic acid and other derivatives
Half Life <10 minutes
External Links
Wikipedia

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

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