Harmine-d3
PubChem CID
46781680
Structure
Molecular Formula
Synonyms
- Harmine-d3
- 1216704-96-9
- 1-methyl-7-(trideuteriomethoxy)-9H-pyrido[3,4-b]indole
- 7-(?H?)methoxy-1-methyl-9H-pyrido[3,4-b]indole
- 1-Methyl-7-[(~2~H_3_)methyloxy]-9H-beta-carboline
Molecular Weight
215.26 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2010-07-26
- Modify:2024-12-28
Chemical Structure Depiction
1-methyl-7-(trideuteriomethoxy)-9H-pyrido[3,4-b]indole
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3/i2D3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
BXNJHAXVSOCGBA-BMSJAHLVSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
[2H]C([2H])([2H])OC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C13H12N2O
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1216704-96-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
215.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
3.6
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
215.113793248 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
215.113793248 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
37.9Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
258
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
3
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChEBI
- EPA DSSTox1-Methyl-7-[(~2~H_3_)methyloxy]-9H-beta-carbolinehttps://comptox.epa.gov/dashboard/DTXSID80675917CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Wikidata1-Methyl-7-[(~2~H_3_)methyloxy]-9H-beta-carbolinehttps://www.wikidata.org/wiki/Q82598643
- PubChem
- NCBI
CONTENTS