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Zolmitriptan-d6

CAT: 1596-AR-Z01118-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01118-01Size:10 Units
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CAS Number
1217644-84-2
Synonyms
(S) -4- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) oxazolidin-2-one-D6; (4S) -4-[[3- (2-dimethylaminoethyl) -1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one-D6; (4S) -4-[[3- (2-dimethylaminoethyl) -1H-indol-5-yl]methyl]-2-oxazolidinone-D6;2-Oxazolidinone, 4- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) -, (S) --D6; (S) -4-[[3-[2- (dimethylamino) ethyl]-1H-indol-5-yl]methyl]-2-oxazolidinone-D6; Zolmiles-D6; Zolmiles-D6; zolmiptriptan-D6; Zolmit-D6; Zolmit-D6; Zolmitriptan-D6; zolmitriptanum-D6; Zomig Rapimelt-D6; Zomig Rapimelt-D6; Zomig ZMT-D6; Zomig®-D6; Zomigon-D6; Zomigoro-D6
Molecular Formula
C16H15D6N3O2
Molecular Weight
293.4
API Name
Zolmitriptan

Chemical Information

Zolmitriptan D6
CAS Number1217644-84-2
PubChem CID46783278
IUPAC Name(4S)-4-[[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular FormulaC16H21N3O2
Molecular Weight293.39
XLogP2.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity375
SMILES
[2H]C([2H])([2H])N(CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3)C([2H])([2H])[2H]
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1/i1D3,2D3
InChIKey
ULSDMUVEXKOYBU-MYLWHKILSA-N
Chemical Structure
2D Structure
2D structure of Zolmitriptan D6
CAS: 1217644-84-2
CID: 46783278
Formula: C16H21N3O2
MW: 293.39
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.39
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass293.201037397
Monoisotopic Mass293.201037397
Topological Polar Surface Area57.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity375
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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