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Nornarceine-13cd3

CAT: 0926-AAA48389-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA48389-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
483-89-6
Smiles
CNCCC1=CC2=C (C (=C1CC (=O) C3=C (C (=C (C=C3) OC) OC) C (=O) O) OC) OCO2
Molecular Formula
C22H25NO8
Molecular Weight
431.4 g/mol
Controlled
Yes

Chemical Information

2,3-Dimethoxy-6-(2-(4-methoxy-6-(2-(methylamino)ethyl)-1,3-benzodioxol-5-yl)acetyl)benzoic acid
CAS Number483-89-6
PubChem CID5320347
IUPAC Name2,3-dimethoxy-6-[2-[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]benzoic acid
Molecular FormulaC22H25NO8
Molecular Weight431.4
XLogP0
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity616
SMILES
CNCCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
InChI
InChI=1S/C22H25NO8/c1-23-8-7-12-9-17-21(31-11-30-17)19(28-3)14(12)10-15(24)13-5-6-16(27-2)20(29-4)18(13)22(25)26/h5-6,9,23H,7-8,10-11H2,1-4H3,(H,25,26)
InChIKey
GLKPKUBRBLNOSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethoxy-6-(2-(4-methoxy-6-(2-(methylamino)ethyl)-1,3-benzodioxol-5-yl)acetyl)benzoic acid
CAS: 483-89-6
CID: 5320347
Formula: C22H25NO8
MW: 431.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass431.15801676
Monoisotopic Mass431.15801676
Topological Polar Surface Area113 Ų
Heavy Atom Count31
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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