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AD 128

CAT: 0013-GTR19195930-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195930-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AD 128 is a bioactive small molecule compound utilized as a research tool in pharmacological studies. It has been investigated in both in vitro and in vivo experimental models for exploring cellular signaling pathways and potential therapeutic applications.
CAS Number
25712-65-6
Smiles
CC (C) (c1cc[n+] (COC[n+]2ccc (C=NO) cc2) cc1) C.[Cl-].[Cl-]
Molecular Formula
C17H23Cl2N3O2
Molecular Weight
372.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AD 128
CAS Number25712-65-6
PubChem CID135878015
IUPAC Name(NE)-N-[[1-[(4-tert-butylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dichloride
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.3
Topological Polar Surface Area49.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity338
SMILES
CC(C)(C)C1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)/C=N/O.[Cl-].[Cl-]
InChI
InChI=1S/C17H22N3O2.2ClH/c1-17(2,3)16-6-10-20(11-7-16)14-22-13-19-8-4-15(5-9-19)12-18-21;;/h4-12H,13-14H2,1-3H3;2*1H/q+1;;/p-1
InChIKey
MLMPXPZOSUGPPR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of AD 128
CAS: 25712-65-6
CID: 135878015
Formula: C17H23Cl2N3O2
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass371.1167324
Monoisotopic Mass371.1167324
Topological Polar Surface Area49.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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