化合物信息

ID:131500

分子式

C₁₉H₂₂ClNO₂

精确质量

331.13390663

InChI

InChI=1S/C19H21NO2.ClH/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14;/h3-7,15,21-22H,2,8-11H2,1H3;1H/t15-;/m1./s1

InChIKey

PCOQOGIDTIFQAM-XFULWGLBSA-N

Canonic Smiles

CCCN1CCc2c3[C@H]1Cc1ccc(c(c1c3ccc2)O)O.Cl

Isomeric Smiles

CCCN1CCc2cccc3c2[C@H]1Cc1c3c(c(cc1)O)O.Cl

JChem

Acid pKa

9.313709

质子受体

质子供体

LogD (pH = 5.5)

1.181287

LogD (pH = 7.4)

2.938351

Log P

3.6735916

摩尔折射率

89.2607

极化性

35.331387

极化表面积

43.7

可自由旋转的化学键

里宾斯基五规则

true

产品目录

学术数据

别名

R(-)-10,11-Dihydroxy-N-n-propylnoraporphine hydrochlorideR(-)-Propylnorapomorphine hydrochlorideR(-)-NPA hydrochloride

IUPAC标准名

(9R)-10-propyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol hydrochloride

IUPAC传统名

(9R)-10-propyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol hydrochloride

PubChem SID

16222577824277901

PubChem CID

11957529

理化性质

溶解度

alcohol: moderately soluble (Solutions should be freshly prepared.)

H2O: moderately soluble (dissolve in oxygen-free boiled water containing 0.1% sodium metabisulfite or other antioxidants. Solutions should be freshly prepared.)

aqueous base: insoluble

methanol: soluble5-10 mg/mL (Solutions should be freshly prepared)

0.1 M HCl: soluble5-10 mg/mL (Solutions should be freshly prepared)

εmax/273 nm, ethanol 17,400

off-white solid

[α]22/D -70.3°, c = 0.17 in methanol(lit.)

安全信息

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

2-8°C

药理学性质

human ... DRD2(1813)

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Sigma Aldrich

D027

Biochem/physiol Actions
Highly potent and selective D2 dopamine receptor agonist.
Caution
Subject to rapid oxidation.

暂无数据

点击上传数据

产品目录

学术数据

别名

R(-)-10,11-Dihydroxy-N-n-propylnoraporphine hydrochlorideR(-)-Propylnorapomorphine hydrochlorideR(-)-NPA hydrochloride

IUPAC标准名

(9R)-10-propyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol hydrochloride

IUPAC传统名

(9R)-10-propyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene-3,4-diol hydrochloride

PubChem SID

16222577824277901

PubChem CID

11957529

Sigma Aldrich

D027

Biochem/physiol Actions
Highly potent and selective D2 dopamine receptor agonist.
Caution
Subject to rapid oxidation.

暂无数据

点击上传数据

理化性质

溶解度

alcohol: moderately soluble (Solutions should be freshly prepared.)

H2O: moderately soluble (dissolve in oxygen-free boiled water containing 0.1% sodium metabisulfite or other antioxidants. Solutions should be freshly prepared.)

aqueous base: insoluble

methanol: soluble5-10 mg/mL (Solutions should be freshly prepared)

0.1 M HCl: soluble5-10 mg/mL (Solutions should be freshly prepared)

εmax/273 nm, ethanol 17,400

off-white solid

[α]22/D -70.3°, c = 0.17 in methanol(lit.)

安全信息

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

2-8°C

药理学性质

human ... DRD2(1813)