Products for Research Use Only

D-19050

CAT: 0013-GTR19242613-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242613-02Size:50 mg
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Description
D-19050 is a potent analgesic with central and peripheral activity, characterized by rapid onset and extended efficacy within a wide therapeutic index. It is utilized in pain research, with applications in both in vivo and in vitro models of nociception. The compound is synthesized from 2,6-dichloropyridine in a five-step process.
CAS Number
149690-78-8
Smiles
Cl.O=C (OCC=C) NC=1C=CC (=NC1N) NCC2=CC=C (F) C=C2
Molecular Formula
C16H18ClFN4O2
Molecular Weight
352.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

D 19050

structure given in first source

CAS Number149690-78-8
PubChem CID197344
IUPAC Nameprop-2-enyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
Molecular FormulaC16H18ClFN4O2
Molecular Weight352.79
Topological Polar Surface Area89.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity388
SMILES
C=CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.Cl
InChI
InChI=1S/C16H17FN4O2.ClH/c1-2-9-23-16(22)20-13-7-8-14(21-15(13)18)19-10-11-3-5-12(17)6-4-11;/h2-8H,1,9-10H2,(H,20,22)(H3,18,19,21);1H
InChIKey
IYEUIHITCUEDPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D 19050
CAS: 149690-78-8
CID: 197344
Formula: C16H18ClFN4O2
MW: 352.79
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight352.79
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass352.1102317
Monoisotopic Mass352.1102317
Topological Polar Surface Area89.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity388
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