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D-19050

CAT: 0931-T201990-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201990-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149690-78-8
Bioactivity
D-19050 is a centrally and peripherally acting analgesic known for its rapid onset and prolonged duration of action, and it has an excellent therapeutic window. The compound can be synthesized in five steps starting from 2,6-dichloropyridine.
Smiles
Cl.O=C(OCC=C)NC=1C=CC(=NC1N)NCC2=CC=C(F)C=C2
Molecular Formula
C16H18ClFN4O2
Molecular Weight
352.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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