Bis{6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium} 4,4'-methylenebis(3-hydroxy-2-naphthoate)（CAS番号：3546-41-6）

Bis{6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium} 4,4'-methylenebis(3-hydroxy-2-naphthoate)

基本情報

編集器で閲覧

CAS番号

3546-41-6

分子式

C75H70N6O6

分子量

1151.4 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

融点

210-215 ºC

沸点

829.27°C (rough estimate)

溶解度

DMSO: >10mg/mL

屈折率

1.6400 (estimate)

SMILES

編集器で閲覧

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O

InChI

InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2

InChIKey

OOPDAHSJBRZRPH-UHFFFAOYSA-L

LogP

12.33840

複雑度

1120

同義語と引用データ

英語

2-NAPHTHOIC ACID, 4,4'-METHYLENEBIS(3-HYDROXY-, ION(2-), BIS(6-(DIMETHYLAMINO)-2-(2-(2,5-DIMETHYL-1-PHENYLPYRROL-3-YL)VINYL)-1-METHYLQUINOLINIUM)
CS-6311
Pyrvinium embonate
DTXCID503545
2412580-82-4
BIS(6-(DIMETHYLAMINO)-2-(2-(2,5-DIMETHYL-1-PHENYLPYRROL-3-YL)VINYL)-1-METHYLQUINOLINIUM) 4,4'-METHYLENEBIS(3-HYDROXY-2-NAPHTHOATE)
Vipyrvinium embonate
Tox21_110753
3546-41-6
VEO-OXYPATE
QUINOLINIUM, 6-(DIMETHYLAMINO)-2-(2-(2,5-DIMETHYL-1-PHENYLPYRROL-3-YL)VINYL)-1-METHYL-, SALT WITH 4,4`-METHYLENEBIS(3-HYDROXY-2-NAPHTHOIC ACID) (2:1)
CHEMBL1908377
SR-01000872694-1
CHEBI:8688
DTXSID4023545
Pyrvinium (as embonate)
Dipyrivinium Pamoate
bis(2-[(1E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-6-(dimethylamino)-1-methylquinolin-1-ium) 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate
MFCD00010090
D00489
bis{6-(dimethylamino)-2-[(E)-2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethenyl]-1-methylquinolinium} 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylate)
NCGC00017042-01
EN300-1273052
4-[(3-carboxylato-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylate; 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-N,N,1-trimethyl-quinolin-1-ium-6-amine
Vanquil
EX-A4867
Vermitibier
Z2196311755
NEO-OXYPAAT
Povan (TN)
AS-56860