CAS 894-71-3|methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}propyl)amine hydrochloride|NORTRIPTYLINE|3-(10,11-Dihydro-5H-dibenzo[a,d]-cyclohepten-5-ylidene)-N-methy...

基本信息

化学结构

分子式

C₁₉H₂₂ClN

分子量

299.83768

精确质量

299.14407739

电荷

InChI

InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H

InChIKey

SHAYBENGXDALFF-UHFFFAOYSA-N

Canonic Smiles

CNCC/C=C/1\c2ccccc2CCc2c1cccc2.Cl

Isomeric Smiles

Cl.CNCC/C=C\1/c2c(CCc3c1cccc3)cccc2

计算属性

Enamine提供

CLogP

4.32

质子供体

极化表面积

12.03

可自由旋转的化学键

JChem

极化表面积

12.03

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

4.43

LogD (pH = 5.5)

1.19

LogD (pH = 7.4)

1.58

摩尔折射率

96.21

极化性

33.33

LOG S

-4.16

数据来源

名称和标识

IUPAC标准名

methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}propyl)amine hydrochloride methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine hydrochloride methyl({3-[(2E)-tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride methyl({3-[(2Z)-tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine hydrochloride

别名

NORTRIPTYLINE3-(10,11-Dihydro-5H-dibenzo[a,d]-cyclohepten-5-ylidene)-N-methyl-1-propanamineNortriptyline hydrochloride3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine hydrochlorideDesmethylamitriptyline hydrochlorideNorzepineNortriptyline HydrochlorideNortrilenAcetexaSensivalPamelorVividylAllegronN-[3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl]-N-methylamine hydrochloride

IUPAC传统名

nortriptyline hydrochloride methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine hydrochloride methyl({3-[(2E)-tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride methyl({3-[(2Z)-tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine hydrochloride methyl(3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine hydrochloride

API名称

Nortriptyline Hydrochloride

名称和标识

数据登录号

CAS号

EC号

PubChem CID

PubChem SID