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NIP 502

CAT: 0013-GTR19273746-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273746-01Size:10 mg
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Description
NIP 502 is a diazinone derivative that exhibits oral anti-inflammatory and immunosuppressive properties. It is useful for research related to asthma.
CAS Number
108616-42-8
Smiles
O=C1NN=CC (NCC2=CC=C (OC) C (OCC) =C2) =C1Cl
Molecular Formula
C14H16ClN3O3
Molecular Weight
309.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nip 502

structure in first source

CAS Number108616-42-8
PubChem CID130955
IUPAC Name5-chloro-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-1H-pyridazin-6-one
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75
XLogP2.1
Topological Polar Surface Area72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity439
SMILES
CCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2)Cl)OC
InChI
InChI=1S/C14H16ClN3O3/c1-3-21-12-6-9(4-5-11(12)20-2)7-16-10-8-17-18-14(19)13(10)15/h4-6,8H,3,7H2,1-2H3,(H2,16,18,19)
InChIKey
MLZKFBZEYADEIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nip 502
CAS: 108616-42-8
CID: 130955
Formula: C14H16ClN3O3
MW: 309.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.75
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass309.0880191
Monoisotopic Mass309.0880191
Topological Polar Surface Area72 Ų
Heavy Atom Count21
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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