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Sumatriptan-D6 Succinate

CAT: 1134-ESS0401-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0401-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215621-31-0
GHS Codes
GHS08
P Phrases
P264, P280
Structure Composition
C 51.53% H 5.05% N 10.02% O 22.88% S 7.64% D 2.88%
H Phrases
H302, H318, H373
UDF Signal Word
Warning
Hazard Statement
Not dangerous goods.
Applications
Labelled analog of Sumatriptan Succinate
Molecular Formula
C18H21N3O6SD6
Molecular Weight
419.53257
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

Sumatriptan-d6 Succinate
CAS Number1215621-31-0
PubChem CID45040451
IUPAC Name1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;butanedioic acid
Molecular FormulaC18H27N3O6S
Molecular Weight419.5
Topological Polar Surface Area148
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity498
SMILES
[2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)NC)C([2H])([2H])[2H].C(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/i2D3,3D3;
InChIKey
PORMUFZNYQJOEI-HVTBMTIBSA-N
Chemical Structure
2D Structure
2D structure of Sumatriptan-d6 Succinate
CAS: 1215621-31-0
CID: 45040451
Formula: C18H27N3O6S
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass419.19971724
Monoisotopic Mass419.19971724
Topological Polar Surface Area148 Ų
Heavy Atom Count28
Formal Charge0
Complexity498
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
XFC19580-01Sumatriptan-d6 (succinate)
TRC-S810002-10MGSumatriptan-d6 Succinate
RM-S132000-01Sumatriptan Succinate

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