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LOE 908 Hydrochloride

CAT: 0572-TRC-L469330-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L469330-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143482-60-4
Synonyms
3,4-Dihydro-6,7-dimethoxy-α-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]-1-isoquinolineacetamide Monohydrochloride; 1-Isoquinolineacetamide, 3,4-dihydro-6,7-dimethoxy-α-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]-, hydrochloride (1:1) (ACI)
Hazard Statement
No Data Available
Smiles
Cl.O=C(N(CCC1=CC=C(OC)C(OC)=C1OC)CCC2=CC=C(OC)C(OC)=C2OC)C(C3=NCCC=4C=C(OC)C(OC)=CC34)C=5C=CC=CC5
Molecular Formula
C41H48N2O9.HCl
Molecular Weight
749.3
InChI
InChI=1S/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36;/h9-17,24-25,35H,18-23H2,1-8H3;1H
Additionnal Information
IUPAC name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis(2,3,4-trimethoxyphenethyl)acetamide hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

LOE 908 hydrochloride
CAS Number143482-60-4
PubChem CID56846451
IUPAC Name2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide;hydrochloride
Molecular FormulaC41H49ClN2O9
Molecular Weight749.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count53
Formal Charge0
Complexity1060
SMILES
COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC.Cl
InChI
InChI=1S/C41H48N2O9.ClH/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33(47-3)24-29(30)18-21-42-36;/h9-17,24-25,35H,18-23H2,1-8H3;1H
InChIKey
UDKSNBMNKLDHNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LOE 908 hydrochloride
CAS: 143482-60-4
CID: 56846451
Formula: C41H49ClN2O9
MW: 749.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight749.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass748.3126588
Monoisotopic Mass748.3126588
Topological Polar Surface Area107 Ų
Heavy Atom Count53
Formal Charge0
Complexity1060
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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