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DA 4626

CAT: 0013-GTR19200411-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200411-01Size:25 mg
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Description
DA 4626 is a competitive H2 receptor antagonist. Its apparent KB values, determined across a broad concentration range, align with those from standard H2-receptor assays. This compound is a valuable pharmacological tool for investigating gastric acid secretion and related physiological processes in both in vitro and in vivo research models.
CAS Number
83184-14-9
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
N (=CNC (C) (C) C) C1=CC=C (C=C1) C2=CN=CN2
Molecular Formula
C14H18N4
Molecular Weight
242.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DA 4626

structure given in first source

CAS Number83184-14-9
PubChem CID134179
IUPAC NameN'-tert-butyl-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
Molecular FormulaC14H18N4
Molecular Weight242.32
XLogP2
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
CC(C)(C)N=CNC1=CC=C(C=C1)C2=CN=CN2
InChI
InChI=1S/C14H18N4/c1-14(2,3)18-10-16-12-6-4-11(5-7-12)13-8-15-9-17-13/h4-10H,1-3H3,(H,15,17)(H,16,18)
InChIKey
KUEHILWIADUSSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DA 4626
CAS: 83184-14-9
CID: 134179
Formula: C14H18N4
MW: 242.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.32
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass242.153146591
Monoisotopic Mass242.153146591
Topological Polar Surface Area53.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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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