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ML 10375

CAT: 0013-GTR19197044-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197044-02Size:50 mg
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Description
ML 10375 is a selective 5-HT4 receptor antagonist used in pharmacological research. It is a valuable tool compound for investigating serotonin signaling pathways in both in vitro binding assays and in vivo models of gastrointestinal and central nervous system function.
CAS Number
174008-52-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OCCN1C[C@@H] (C) C[C@@H] (C) C1) (=O) C2=C (OC) C=C (N) C (Cl) =C2
Molecular Formula
C17H25ClN2O3
Molecular Weight
340.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Amino-5-chloro-2-methoxy-benzoic acid 2-((3S,5R)-3,5-dimethyl-piperidin-1-yl)-ethyl ester
CAS Number174008-52-7
PubChem CID10831066
IUPAC Name2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular FormulaC17H25ClN2O3
Molecular Weight340.8
XLogP3.4
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
C[C@@H]1C[C@@H](CN(C1)CCOC(=O)C2=CC(=C(C=C2OC)N)Cl)C
InChI
InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3/t11-,12+
InChIKey
BUEFUOFMOXJXAR-TXEJJXNPSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-5-chloro-2-methoxy-benzoic acid 2-((3S,5R)-3,5-dimethyl-piperidin-1-yl)-ethyl ester
CAS: 174008-52-7
CID: 10831066
Formula: C17H25ClN2O3
MW: 340.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass340.1553704
Monoisotopic Mass340.1553704
Topological Polar Surface Area64.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
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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