CAS 13071-11-9|CAS 318-98-9|[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine hydrochloride|Propranolol hydrochloride|propranolol hydrochloride|1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]...

基本信息

化学结构

分子式

C₁₆H₂₂ClNO₂

分子量

295.80438

精确质量

295.13390663

电荷

InChI

InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H

InChIKey

ZMRUPTIKESYGQW-UHFFFAOYSA-N

Canonic Smiles

OC(COc1cccc2c1cccc2)CNC(C)C.Cl

Isomeric Smiles

c12c(OCC(CNC(C)C)O)cccc1cccc2.Cl

计算属性

Enamine提供

CLogP

2.75

质子供体

极化表面积

41.49

可自由旋转的化学键

JChem

极化表面积

41.49

质子供体

质子受体

可自由旋转的化学键

里宾斯基五规则

true

Log P

2.58

LogD (pH = 5.5)

-0.61

LogD (pH = 7.4)

0.36

Acid pKa

14.09

摩尔折射率

76.83

极化性

31.69

LOG S

-3.70

数据来源

名称和标识

IUPAC标准名

[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine hydrochloride 1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol hydrochloride

别名

Propranolol hydrochloridePropranolol HClICI 47319AY 20694d-Anapriline(2R)-1-[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol Hydrochloride(+)-Propranolol Hydrochloriderac-Propranolol HydrochlorideAngilolBeta-TablinenAY-64043NCS-91523BepraneDexpropranolol Hydrochloride(R)-Propranolol Hydrochloride(R)-(+)-Propranolol Hydrochlorided-Propranolol Hydrochloride(+)-Anapriline(+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol HydrochlorideICI-455201[(1-Methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol HydrochlorideApsololBedranolBerkololDL-Propranolol hydrochloride(±)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrochloride(±)-Propranolol hydrochloride(+/-)-盐酸普萘洛尔1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrochloride

IUPAC传统名

propranolol hydrochloride 1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride

API名称

Propranolol hydrochloride

名称和标识

数据登录号

CAS号

13071-11-9318-98-9

EC号

206-268-7

MDL号

MFCD00012558