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Didesmethyl Almotriptan-d4

CAT: 0024-sc-499564Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-499564Size:1 mg
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CAS Number
1346604-75-8

Chemical Information

Didesmethyl Almotriptan-d4
CAS Number1346604-75-8
PubChem CID71316016
IUPAC Name1,1,2,2-tetradeuterio-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Molecular FormulaC15H21N3O2S
Molecular Weight311.4
XLogP0.6
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity442
SMILES
[2H]C([2H])(C1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3)C([2H])([2H])N
InChI
InChI=1S/C15H21N3O2S/c16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-21(19,20)18-7-1-2-8-18/h3-4,9-10,17H,1-2,5-8,11,16H2/i5D2,6D2
InChIKey
XLDLLAFWGVDYHM-NZLXMSDQSA-N
Chemical Structure
2D Structure
2D structure of Didesmethyl Almotriptan-d4
CAS: 1346604-75-8
CID: 71316016
Formula: C15H21N3O2S
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass311.16055508
Monoisotopic Mass311.16055508
Topological Polar Surface Area87.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity442
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-391896Didesmethyl Almotriptan
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sc-396219Almotriptan Malate
sc-210786Almotriptan Hydrochloride
sc-363857N-Desmethyl Almotriptan
sc-207568Didesmethyl Zolmitriptan
sc-481725Almotriptan Dimer Impurity
sc-217612Almotriptan-d6 Hydrochloride

Alternative Products

CatalogName
TRC-D440832-50MGDidesmethyl Almotriptan-d4
009364Didesmethyl Almotriptan
CS-O-45726N-Nitroso Didesmethyl Almotriptan
AR-A01693-01Almotriptan N, N-Didesmethyl Impurity Malate
CS-O-15169Didesmethyl Clomipramine D4
AR-A05968-01N-Nitroso Almotriptan N, N-Didesmethyl Impurity
TRC-D441137-25MGN-Didesmethyl Loperamide-d4
AR-C02961-01Didesmethyl citalopram-d4.HBr
HY-143989S-01N, N-Didesmethyl Mifepristone-d4
TRC-P397747-100MG1,4-O-Didesmethyl Phyllanthin-d4

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