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149719-06-2

149719-06-2 | Benzoic acid, 4-amino-5-chloro-2-methoxy-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1)

CAS No: 149719-06-2 Catalog No: AG001LY4 MDL No:MFCD00672672

Product Description

Catalog Number:
AG001LY4
Chemical Name:
Benzoic acid, 4-amino-5-chloro-2-methoxy-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1)
CAS Number:
149719-06-2
Molecular Formula:
C16H24Cl2N2O3
Molecular Weight:
363.2794
MDL Number:
MFCD00672672
IUPAC Name:
3-piperidin-1-ylpropyl 4-amino-5-chloro-2-methoxybenzoate;hydrochloride
InChI:
InChI=1S/C16H23ClN2O3.ClH/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19;/h10-11H,2-9,18H2,1H3;1H
InChI Key:
QLZLBYYNMGQIAR-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)OCCCN1CCCCC1)Cl.Cl

Properties

Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.116g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
363.279g/mol
Monoisotopic Mass:
362.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Study of 5HT3 and HT4 receptor expression in HT29 cell line and human colon adenocarcinoma tissues. Archives of Iranian medicine 20100301
Diverse regulation of atrial natriuretic peptide secretion by serotonin receptor subtypes. Cardiovascular research 20030801

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