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(+) -U-50488 Hydrochloride

CAT: 0926-PEA52881-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-PEA52881-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114528-81-3
Smiles
CN (C1CCCCC1N2CCCC2) C (=O) CC3=CC (=C (C=C3) Cl) Cl.Cl
Molecular Formula
C19H27Cl3N2O
Molecular Weight
405.8 g/mol
Controlled
Yes

Chemical Information

(+)-U-50488 hydrochloride
CAS Number114528-81-3
PubChem CID6918162
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
Molecular FormulaC19H27Cl3N2O
Molecular Weight405.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity428
SMILES
CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
InChI
InChI=1S/C19H26Cl2N2O.ClH/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m1./s1
InChIKey
KGMMGVIYOHGOKQ-JAXOOIEVSA-N
Chemical Structure
2D Structure
2D structure of (+)-U-50488 hydrochloride
CAS: 114528-81-3
CID: 6918162
Formula: C19H27Cl3N2O
MW: 405.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass404.118897
Monoisotopic Mass404.118897
Topological Polar Surface Area23.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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