(1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride（CAS号：171752-68-4）

(1R,3R)-1-(苯并[d] [1,3]二氧杂环戊烯-5-基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-甲基羧酸盐酸盐

基本信息

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CAS号

171752-68-4

分子式

C20H19ClN2O4

分子量

386.84 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

基本物理性质

SMILES

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COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2.Cl

InChI

InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1

InChIKey

ROYJOKDTCKPQHK-KQKCUOLZSA-N

LogP

3.0951000000000017

拓扑极性表面积

72.58000000000001 Å²

氢键供体/受体

2 / 6

复杂度

544

同义词与引用数据

英文

(1R,3R)-1-benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester hydrochloride
(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE
(1R,3R)-1-benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl est...
1R,?3R)?-?Methyl 1-?(benzo[d]?[1,?3]?dioxol-?5-?yl)?-?2,?3,?4,?9-?tetrahydro-?1H-?pyrido[3,?
CIS-(1R,3R)-1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID METHYL ESTER HYDRO...
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate,hydrochloride
1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-
1H-Pyrido[3,4-b]indole-3-carboxylicacid
chempacific 51475
Intermediates of tadalafil:(1R,3R)-9H-pyrido[3,4-B]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyphenyl), methyl ester, Cis Isomer, hydrochloride
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate hyd
methylester, monohydrochloride, (1R,3R)-
(1R, 3R)-9H-PYRIDO[3,4-B] INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1- (3,4-METHYLENDIOXYPHENYL), METHYL ESTER, HYDROCHLORIDE
(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
(1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro- 1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
(1R,3R)-9H-Pyrido[3,4-B]Indol-3-Carboxylic Acid 1,2,3,4-Terahydro-1-(3,4-Methylendioxyphenyl),Methyl Ester Hydrochloride
(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORID
Intermediates of Tadalafil:(1R,3R)-9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, cis isomer, hydrochloride
ROYJOKDTCKPQHK-KQKCUOLZSA-N
Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydr
cis-(1R,3R)-1,2,3,4-Tetrahydro-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]ind
methyl (1R,3R)-1-(2H-1,3-benzodioxol-5-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate hydrochloride
(1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
hydrochloride (1:1)

中文

顺式-(1R,3R)-1,2,3,4-四氢-1-(3,4-亚甲二氧基苯基)-9H-吡啶并[3,4-B]吲哚-3-羧酸甲酯盐酸盐
(1R,3r)-9h-吡啶并[3,4-b]吲哚-3-羧酸, 1,2,3,4-四氢-1-(3,4-亚甲基二氧基苯基)甲酯盐酸盐
5,6-二氟吲哚
顺式-(1R,3R)-1,2,3,4-四氢-1-(3,4-亚甲二氧基苯基)-9H-吡啶并
他达拉非N-2中间体
他达拉非中间体
他达那非中间体
(1R,3R)-1-(苯并[d][1,3]二氧杂环戊烯-5-基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]羧酸甲酯盐酸盐
顺式-(1R,3R)-1,2,3,4-四氢-1-(3,4-亚甲二氧基苯基)-9H-吡啶并[3,4-B]吲哚-3-羧酸甲酯盐酸盐他达那非中间体
达那非中间体
四氢咔啉盐酸盐(异构体杂质)
(1R,3R)-1-benzo[1,3]dioxol-5-yl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid methyl ester hydrochloride
四氢咔啉盐酸盐