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N10-Monodesmethyl Rizatriptan-d3

CAT: 0572-TRC-M539502-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M539502-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215678-02-6
Synonyms
N-(Methyl-d3)-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
[2H]C([2H])([2H])NCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3
Molecular Formula
C14H14D3N5
Molecular Weight
258.34
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N10-Monodesmethyl Rizatriptan-d3
CAS Number1215678-02-6
PubChem CID46782395
IUPAC Name2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N-(trideuteriomethyl)ethanamine
Molecular FormulaC14H17N5
Molecular Weight258.34
XLogP1.6
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity285
SMILES
[2H]C([2H])([2H])NCCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3
InChI
InChI=1S/C14H17N5/c1-15-5-4-12-7-17-14-3-2-11(6-13(12)14)8-19-10-16-9-18-19/h2-3,6-7,9-10,15,17H,4-5,8H2,1H3/i1D3
InChIKey
HTVLSIBBGWEXCH-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of N10-Monodesmethyl Rizatriptan-d3
CAS: 1215678-02-6
CID: 46782395
Formula: C14H17N5
MW: 258.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.34
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass258.16722580
Monoisotopic Mass258.16722580
Topological Polar Surface Area58.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity285
Isotope Atom Count3
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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