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» Substance Summary
Substance Summary
(SID
194681
)
Table of Contents
Data Source
Synonyms
Properties
Descriptors
Substance Information
Exports
Data
Source
:
Depositor:
ChemIDplus
External ID:
100243343
Depositor-Supplied Synonyms:
(Total: 4)
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N-(2-Diethylaminoethyl)-N-(4-pyridylmethyl)benzamide hydrochloride
N-(4-Piridinmetil)-N-beta-dietilamminoetilbenzammide cloridrato [Italian]
BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-N-(4-PYRIDYLMETHYL)-, HYDROCHLORIDE
100243-34-3
Properties Computed from Structure:
Molecular Weight
347.88224 [g/mol]
Molecular Formula
C
19
H
26
ClN
3
O
H-Bond Donor
1
H-Bond Acceptor
3
Rotatable Bond Count
8
Exact Mass
347.17644
MonoIsotopic Mass
347.17644
Topological Polar Surface Area
37.6
Heavy Atom Count
24
Formal Charge
0
Complexity
332
Isotope Atom Count
0
Defined Atom StereoCenter Count
0
Undefined Atom StereoCenter Count
0
Defined Bond StereoCenter Count
0
Undefined Bond StereoCenter Count
0
Covalently-Bonded Unit Count
2
Descriptors Computed from Structure:
IUPAC Name:
2-[benzoyl(pyridin-4-ylmethyl)amino]ethyl-diethylazanium chloride
Canonical SMILES:
CC[NH+](CC)CCN(CC1=CC=NC=C1)C(=O)C2=CC=CC=C2.[Cl-]
InChI:
InChI=1S/C19H25N3O.ClH/c1-3-21(4-2)14-15-22(16-17-10-12-20-13-11-17)19
(23)18-8-6-5-7-9-18;/h5-13H,3-4,14-16H2,1-2H3;1H
InChIKey:
SCHOEMCZTJDZTL-UHFFFAOYSA-N
Substance Information:
SID
194681
Deposit Date: 2005-08-08
Modify Date: 2006-04-28
CID
57658
Create Date: 2005-08-08
Parent CID
57659
Unique Components:
2 Links
Related Substances:
Same:
4 Links
Similar Substances:
3476 Links
ASN1
XML
SDF
Compound Displayed
Deposited
PubChem
2D
3D
2D
3D
Reason:
3D generation disallowed.
You may try the parent compound: CID
57659
.
Compound ID
57658
Molecular Weight
347.88224 [g/mol]
Molecular Formula
C
19
H
26
ClN
3
O
H-Bond Donor
1
H-Bond Acceptor
3
Links
NLM Toxicology (1)
Chemical Structure Search
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