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73802-00-3 | 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide; N-(4-hydroxyphenyl)acetamide; hydrochloride
CAS No: 73802-00-3 Catalog No: AG005BCC MDL No:
Product Description
Catalog Number:
AG005BCC
Chemical Name:
4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide; N-(4-hydroxyphenyl)acetamide; hydrochloride
CAS Number:
73802-00-3
Molecular Formula:
C22H32Cl2N4O4
Molecular Weight:
487.4199
IUPAC Name:
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;N-(4-hydroxyphenyl)acetamide;hydrochloride
InChI:
InChI=1S/C14H22ClN3O2.C8H9NO2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;1-6(10)9-7-2-4-8(11)5-3-7;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2-5,11H,1H3,(H,9,10);1H
InChI Key:
BCHLTFOMLWCYIS-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)O.CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC.Cl
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.18g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
487.422g/mol
Monoisotopic Mass:
486.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Too much of a good thing, is it bad? Adrenaline on trial. | The New Zealand medical journal 20070413 |
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