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U-54494A Hydrochloride

CAT: 0572-TRC-A965335-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A965335-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112465-94-8
Synonyms
U-54494A Hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)c3ccc(Cl)c(Cl)c3
Molecular Formula
C18 H24 Cl2 N2 O . Cl H
Molecular Weight
391.763
InChI
InChI=1S/C18H24Cl2N2O.ClH/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22;/h8-9,12,16-17H,2-7,10-11H2,1H3;1H/t16-,17+;/m1./s1
Additionnal Information
IUPAC name: 3,4-dichloro-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]benzamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

cis-3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzamide monohydrochloride
CAS Number112465-94-8
PubChem CID183469
IUPAC Name3,4-dichloro-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]benzamide;hydrochloride
Molecular FormulaC18H25Cl3N2O
Molecular Weight391.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity414
SMILES
CN([C@@H]1CCCC[C@@H]1N2CCCC2)C(=O)C3=CC(=C(C=C3)Cl)Cl.Cl
InChI
InChI=1S/C18H24Cl2N2O.ClH/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22;/h8-9,12,16-17H,2-7,10-11H2,1H3;1H/t16-,17+;/m1./s1
InChIKey
WFUASZXAHZXJMX-PPPUBMIESA-N
Chemical Structure
2D Structure
2D structure of cis-3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzamide monohydrochloride
CAS: 112465-94-8
CID: 183469
Formula: C18H25Cl3N2O
MW: 391.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass390.103247
Monoisotopic Mass390.103247
Topological Polar Surface Area23.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity414
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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