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ADS1017

CAT: 0013-GTR19250436-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250436-02Size:50 mg
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Description
ADS1017 is a dual histamine and muscarinic receptor antagonist with high affinity for hH3R, hM2R, and hM4R. It demonstrates analgesic and anti-hyperalgesic efficacy in preclinical models of capsaicin- and oxaliplatin-induced pain, supporting its research use in neuropathic pain and receptor pharmacology studies.
CAS Number
1383657-36-0
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
C1CN (CCN1CCCCCCCOC2=CC=CC=C2) CCCCN (CC3=CC=CC=C3) C (=N) N
Molecular Formula
C29H45N5O
Molecular Weight
479.701
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Benzyl-1-[4-[4-(7-phenoxyheptyl)piperazin-1-yl]butyl]guanidine
CAS Number1383657-36-0
PubChem CID60150162
IUPAC Name1-benzyl-1-[4-[4-(7-phenoxyheptyl)piperazin-1-yl]butyl]guanidine
Molecular FormulaC29H45N5O
Molecular Weight479.7
XLogP4.9
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count35
Formal Charge0
Complexity539
SMILES
C1CN(CCN1CCCCCCCOC2=CC=CC=C2)CCCCN(CC3=CC=CC=C3)C(=N)N
InChI
InChI=1S/C29H45N5O/c30-29(31)34(26-27-14-6-4-7-15-27)20-12-11-19-33-23-21-32(22-24-33)18-10-2-1-3-13-25-35-28-16-8-5-9-17-28/h4-9,14-17H,1-3,10-13,18-26H2,(H3,30,31)
InChIKey
FETNGKPEELWQKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-1-[4-[4-(7-phenoxyheptyl)piperazin-1-yl]butyl]guanidine
CAS: 1383657-36-0
CID: 60150162
Formula: C29H45N5O
MW: 479.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.7
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass479.36241108
Monoisotopic Mass479.36241108
Topological Polar Surface Area68.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity539
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

Alternative Products

CatalogName
T204233-01ADS1017

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