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DSP-6745

CAT: 0013-GTR19236768-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236768-01Size:25 mg
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Description
DSP-6745 is a potent and orally bioavailable 5-HT receptor antagonist. It is a valuable research tool for investigating depression, suitable for both in vitro binding assays and in vivo behavioral studies in animal models.
CAS Number
2235409-96-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (O) CC (O) (C (=O) O) CC (=O) O.FC1=CC=C (F) C (=C1) COC2=CC (=NN2CCC (C) (C) C) CNC
Molecular Formula
C24H33F2N3O8
Molecular Weight
529.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[5-[(2,5-difluorophenyl)methoxy]-1-(3,3-dimethylbutyl)pyrazol-3-yl]-N-methylmethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CAS Number2235409-96-6
PubChem CID171904651
IUPAC Name1-[5-[(2,5-difluorophenyl)methoxy]-1-(3,3-dimethylbutyl)pyrazol-3-yl]-N-methylmethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC24H33F2N3O8
Molecular Weight529.5
Topological Polar Surface Area171
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity605
SMILES
CC(C)(C)CCN1C(=CC(=N1)CNC)OCC2=C(C=CC(=C2)F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C18H25F2N3O.C6H8O7/c1-18(2,3)7-8-23-17(10-15(22-23)11-21-4)24-12-13-9-14(19)5-6-16(13)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9-10,21H,7-8,11-12H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
SIYCFSKCTFUNMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[5-[(2,5-difluorophenyl)methoxy]-1-(3,3-dimethylbutyl)pyrazol-3-yl]-N-methylmethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CAS: 2235409-96-6
CID: 171904651
Formula: C24H33F2N3O8
MW: 529.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass529.22357134
Monoisotopic Mass529.22357134
Topological Polar Surface Area171 Ų
Heavy Atom Count37
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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