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Dilopetine Citrate

CAT: 0013-GTR19197765-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197765-01Size:25 mg
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Description
Dilopetine Citrate is a small molecule modulator of tachykinin and neurokinin receptors with research potential for depression. It is utilized in preclinical studies to investigate neuropeptide signaling pathways in both in vitro assays and in vivo models of mood disorders.
CAS Number
247046-64-6
Smiles
C (CC (O) =O) (CC (O) =O) (C (O) =O) O.C (OCCN (C) C) (C=1N (C) N=CC1) C2=CC=CS2
Molecular Formula
C19H27N3O8S
Molecular Weight
457.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dilopetine Citrate
CAS Number247046-64-6
PubChem CID9846912
IUPAC NameN,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC19H27N3O8S
Molecular Weight457.5
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity480
SMILES
CN1C(=CC=N1)C(C2=CC=CS2)OCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C13H19N3OS.C6H8O7/c1-15(2)8-9-17-13(12-5-4-10-18-12)11-6-7-14-16(11)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7,10,13H,8-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KRFGVGXHTYATEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dilopetine Citrate
CAS: 247046-64-6
CID: 9846912
Formula: C19H27N3O8S
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass457.15188600
Monoisotopic Mass457.15188600
Topological Polar Surface Area191 Ų
Heavy Atom Count31
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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