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CDD3506

CAT: 0931-T13601-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T13601-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
197913-15-8
Target
Cytochromes P450
Related Pathways
Metabolism
Purity
0.9948
Bioactivity
CDD3506 (1-TRITYL-1H-IMIDAZOL-4-AMINE) increases high-density lipoprotein cholesterol by targeting hepatic CYP3A.
Smiles
Nc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Molecular Formula
C22H19N3
Molecular Weight
325.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-trityl-1H-imidazol-4-amine
CAS Number197913-15-8
PubChem CID9862108
IUPAC Name1-tritylimidazol-4-amine
Molecular FormulaC22H19N3
Molecular Weight325.4
XLogP4.4
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity360
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)N
InChI
InChI=1S/C22H19N3/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,23H2
InChIKey
RCJCNSQHHMJLRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-trityl-1H-imidazol-4-amine
CAS: 197913-15-8
CID: 9862108
Formula: C22H19N3
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass325.157897619
Monoisotopic Mass325.157897619
Topological Polar Surface Area43.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity360
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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CatalogName
T13600-01CDD3505