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MM 77 dihydrochloride

CAT: 0607-B6511-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6511-50Size:50 mg
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Description
5-HT1A receptor antagonist
CAS Number
159187-70-9
Product Name Alternative
1-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyrrolidine-2,5-dione dihydrochloride
Field of Research
Neuroscience 5-HT Receptor
Form
White crystalline solid
Solubility
<31.38mg/ml in DMSO
Smiles
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(CCC3=O)=O.Cl.Cl
Molecular Formula
C19H27N3O3·2HCl
Molecular Weight
418.36
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

MM 77 dihydrochloride
CAS Number159187-70-9
PubChem CID45073441
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrrolidine-2,5-dione;dihydrochloride
Molecular FormulaC19H29Cl2N3O3
Molecular Weight418.4
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity447
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)CCC3=O.Cl.Cl
InChI
InChI=1S/C19H27N3O3.2ClH/c1-25-17-7-3-2-6-16(17)21-14-12-20(13-15-21)10-4-5-11-22-18(23)8-9-19(22)24;;/h2-3,6-7H,4-5,8-15H2,1H3;2*1H
InChIKey
ZYCVVOZXHNDRCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MM 77 dihydrochloride
CAS: 159187-70-9
CID: 45073441
Formula: C19H29Cl2N3O3
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass417.1585972
Monoisotopic Mass417.1585972
Topological Polar Surface Area53.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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