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115092-85-8 | 1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
CAS No: 115092-85-8 Catalog No: AG000FWC MDL No:
Product Description
Catalog Number:
AG000FWC
Chemical Name:
1H-Indole-5-carboxylic acid, 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl]-, hydrochloride (1:1)
CAS Number:
115092-85-8
Molecular Formula:
C24H27ClN2O2
Molecular Weight:
410.9364
IUPAC Name:
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
InChI Key:
LRJUHOBITQUXIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2.Cl
UNII:
77K7K97CBS
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.176g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.942g/mol
Monoisotopic Mass:
410.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A new synthesis of indole 5-carboxylic acids and 6-hydroxy-indole-5-carboxylic acids in the preparation of an o-hydroxylated metabolite of vilazodone. | Bioorganic & medicinal chemistry letters 20040517 |
| Carmoxirole is able to reduce amisulpride-induced hyperprolactinemia without affecting its central effect. | European journal of pharmacology 20020628 |
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