Home Other Building Blocks Benzoic acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)

Benzoic acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)

CAS No.:
1248-42-6
Catalog Number:
AG000MR7
Molecular Formula:
C22H26ClNO4
Molecular Weight:
403.8991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$126
- +
10mg
99%
1 week
United States
$182
- +
25mg
99%
1 week
United States
$335
- +
50mg
99%
1 week
United States
$585
- +
100mg
99%
1 week
United States
$1057
- +
Product Description
Catalog Number:
AG000MR7
Chemical Name:
Benzoic acid, 2-[4-[2-(1-piperidinyl)ethoxy]benzoyl]-, methyl ester, hydrochloride (1:1)
CAS Number:
1248-42-6
Molecular Formula:
C22H26ClNO4
Molecular Weight:
403.8991
MDL Number:
MFCD01661944
IUPAC Name:
methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate;hydrochloride
InChI:
InChI=1S/C22H25NO4.ClH/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H
InChI Key:
ZRFIFDFEDPJBII-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(=O)c1ccc(cc1)OCCN1CCCCC1.Cl
EC Number:
214-999-8
UNII:
HE1ZA4ZBEX
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.155g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.903g/mol
Monoisotopic Mass:
403.155g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Modulatory effect of diclofenac on antispasmodic effect of pitofenone in cholinergic spasm. Indian journal of experimental biology 20040601
Properties