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Org 25543 Hydrochloride

CAT: 0572-TRC-O674985-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O674985-1GSize:1 g
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CAS Number
495076-64-7
Synonyms
N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)Benzamide Hydrochloride; N-[[1-(Dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-(phenylmethoxy)Benzamide Monohydrochloride (9CI)
Hazard Statement
No Data Available
Smiles
Cl.O=C(NCC1(N(C)C)CCCC1)C2=CC(OC)=C(OCC=3C=CC=CC3)C(OC)=C2
Molecular Formula
C24H32N2O4 • HCl
Molecular Weight
448.98
InChI
InChI=1S/C24H32N2O4.ClH/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18;/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27);1H
Additionnal Information
IUPAC name: 4-(benzyloxy)-N-((1-(dimethylamino)cyclopentyl)methyl)-3,5-dimethoxybenzamide hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Org 25543 hydrochloride
CAS Number495076-64-7
PubChem CID10095215
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide;hydrochloride
Molecular FormulaC24H33ClN2O4
Molecular Weight449.0
Topological Polar Surface Area60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity515
SMILES
CN(C)C1(CCCC1)CNC(=O)C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC.Cl
InChI
InChI=1S/C24H32N2O4.ClH/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18;/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27);1H
InChIKey
NIPQJILJYQVZJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Org 25543 hydrochloride
CAS: 495076-64-7
CID: 10095215
Formula: C24H33ClN2O4
MW: 449.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass448.2128852
Monoisotopic Mass448.2128852
Topological Polar Surface Area60 Ų
Heavy Atom Count31
Formal Charge0
Complexity515
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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