CAS 70681-20-8|(±)-SALSOLINOL|1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride|1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline|(+)-salsolinol hydrochloride|(±)-Salsolinol hydro...

基本信息

化学结构

分子式

C₁₀H₁₄ClNO₂

分子量

215.67666

精确质量

215.07130637

电荷

InChI

InChI=1S/C10H13NO2.ClH/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-6,11-13H,2-3H2,1H3;1H

InChIKey

WSVCGYSRZYNJMC-UHFFFAOYSA-N

Canonic Smiles

CC1NCCc2c1cc(O)c(c2)O.Cl

Isomeric Smiles

Cl.CC1NCCc2cc(O)c(O)cc12

计算属性

JChem

Acid pKa

9.611088

质子受体

质子供体

LogD (pH = 5.5)

-1.6246938

LogD (pH = 7.4)

-0.115078285

Log P

0.9552438

摩尔折射率

50.9962

极化性

19.616442

极化表面积

52.49

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

(±)-SALSOLINOL1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline(±)-Salsolinol hydrochloride(±)-猪毛菜酚盐酸盐1-甲基-6,7-二羟基-1,2,3,4-四氢异喹啉rac Salsolinol Hydrochloride1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline Hydrochloride1,2,3,4-Tetrahydro-1-methyl-6,7-isoquinolinediol Hydrochloride

IUPAC标准名

1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

IUPAC传统名

(+)-salsolinol hydrochloride

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

数据登录号

化合物性质

产品相关信息

质检报告

下载链接

纯度

≥80% (TLC)

级别

analytical standard, for drug analysis

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

MP Biomedicals

02156580

(1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline)
Hydrochloride

TRC

S100000

Salsolinol is derived from the neurotransmitter dopamine and acetaldehyde. Interest in this molecule comes from studies suggesting that it might be involved in alcohol addiction, as acetaldehyde is both a well recognized substrate for the Pictet-Spengler

描述信息

参考文献

PubChem文献

数据源提供

• Myers, R.D. and Melchior, C.L., Pharm. Biochem. and Behavior, 7: 381, (1977).

• O'Dell, D.K., et al.: Bioorg. Med. Chem., 15, 6164 (1978)

• Weiner, C.D., et al.: Biochem. Pharmacol., 27, 2699 (1978)

参考文献

生物活性

PubChem BioAssay

生物活性