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N-Methyltetrahydrocolumbamine

CAT: 0931-TN7481-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7481-01Size:10 mg
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CAS Number
92758-34-4
Target
Others
Related Pathways
Others
Bioactivity
N-Methyltetrahydrocolumbamine is a natural product that can be used as a reference standard. The CAS number of N-Methyltetrahydrocolumbamine is 92758-34-4.
Smiles
C[N@@+]12[C@](C=3C(CC1)=CC(OC)=C(O)C3)(CC=4C(C2)=C(OC)C(OC)=CC4)[H].[I-]
Molecular Formula
C21H26NO4+
Molecular Weight
356.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methyltetrahydrocolumbamine
CAS Number92758-34-4
PubChem CID15378248
IUPAC Name(13aS)-3,9,10-trimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Molecular FormulaC21H26NO4+
Molecular Weight356.4
XLogP2.9
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge1
Complexity502
SMILES
C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)OC)O)OC
InChI
InChI=1S/C21H25NO4/c1-22-8-7-14-10-20(25-3)18(23)11-15(14)17(22)9-13-5-6-19(24-2)21(26-4)16(13)12-22/h5-6,10-11,17H,7-9,12H2,1-4H3/p+1/t17-,22?/m0/s1
InChIKey
SXSWKAREZLTMEN-LBOXEOMUSA-O
Chemical Structure
2D Structure
2D structure of N-Methyltetrahydrocolumbamine
CAS: 92758-34-4
CID: 15378248
Formula: C21H26NO4+
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass356.18618331
Monoisotopic Mass356.18618331
Topological Polar Surface Area47.9 Ų
Heavy Atom Count26
Formal Charge1
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19233187N-Methyltetrahydrocolumbamine
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297193-01N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MGN,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine
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OR22662N, N, N, N, N, N-hexaethylphosphinetricarboxamide
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sc-255378N, N, N', N'', N''-Pentamethyldiethylenetriamine
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