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ATI-7400

CAT: 0013-GTR19208473-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208473-02Size:50 mg
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Description
ATI-7400 is the primary active metabolite of the 5-HT4 receptor agonist naronapride (ATI-7505) . This small molecule is utilized in pharmacological research to study gastrointestinal motility and related disorders, with applications in both in vitro receptor assays and in vivo animal models.
CAS Number
1346751-90-3
Smiles
C (N[C@H]1[C@@H] (OC) CN (CCCC (O) =O) CC1) (=O) C2=C (OC) C=C (N) C (Cl) =C2
Molecular Formula
C18H26ClN3O5
Molecular Weight
399.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Naronapride metabolite M1
CAS Number1346751-90-3
PubChem CID15231278
IUPAC Name4-[(3S,4R)-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butanoic acid
Molecular FormulaC18H26ClN3O5
Molecular Weight399.9
XLogP-1.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity509
SMILES
CO[C@H]1CN(CC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(=O)O
InChI
InChI=1S/C18H26ClN3O5/c1-26-15-9-13(20)12(19)8-11(15)18(25)21-14-5-7-22(10-16(14)27-2)6-3-4-17(23)24/h8-9,14,16H,3-7,10,20H2,1-2H3,(H,21,25)(H,23,24)/t14-,16+/m1/s1
InChIKey
YJSHQGHIZXDNHW-ZBFHGGJFSA-N
Chemical Structure
2D Structure
2D structure of Naronapride metabolite M1
CAS: 1346751-90-3
CID: 15231278
Formula: C18H26ClN3O5
MW: 399.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.9
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass399.1560986
Monoisotopic Mass399.1560986
Topological Polar Surface Area114 Ų
Heavy Atom Count27
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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