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349U85 (hydrochloride)

CAT: 0804-HY-19172Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19172Size:1 Each
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Description
349U85 hydrochloride is a vasodilator-cardiotonic agent[1].
CAS Number
116942-30-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Related Pathways
Others
Field of Research
Cardiovascular Disease
Smiles
O=C1NC2=C(C=C(N3CCCCC3)C=C2)C=C1.Cl
Molecular Formula
C14H17ClN2O
Molecular Weight
264.75
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Clifton GD, et al. Pharmacokinetics and pharmacodynamics of a new cardiotonic vasodilator agent, 349U85, in normal subjects. Clin Pharmacol Ther. 1994 Jan;55 (1) :55-63.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
Phase 1

Chemical Information

349U85

structure given in first source

CAS Number116942-30-4
PubChem CID164016
IUPAC Name6-piperidin-1-yl-1H-quinolin-2-one;hydrochloride
Molecular FormulaC14H17ClN2O
Molecular Weight264.75
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity320
SMILES
C1CCN(CC1)C2=CC3=C(C=C2)NC(=O)C=C3.Cl
InChI
InChI=1S/C14H16N2O.ClH/c17-14-7-4-11-10-12(5-6-13(11)15-14)16-8-2-1-3-9-16;/h4-7,10H,1-3,8-9H2,(H,15,17);1H
InChIKey
KYTREJMWHJPVSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 349U85
CAS: 116942-30-4
CID: 164016
Formula: C14H17ClN2O
MW: 264.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.75
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass264.1029409
Monoisotopic Mass264.1029409
Topological Polar Surface Area32.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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