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(R) -Zolmitriptan

CAT: 1596-AR-Z01125-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01125-02Size:25 Units
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CAS Number
139264-24-7
Synonyms
(R) -4- ((3- (2- (dimethylamino) ethyl) -1H-indol-5-yl) methyl) oxazolidin-2-one; (4R) -4- ({3-[2- (Dimethylamino) ethyl]-1H-indol-5-yl}methyl) -1,3-oxazolidin-2-one; (4R) -4- ({3-[2- (Dimethylamino) ethyl]-1H-indol-5-yl}methyl) -4,5-dihydro-1,3-oxazol-2-ol ;2-Oxazolidinone, 4-[[3-[2- (dimethylamino) ethyl]-1H-indol-5-yl]methyl]-, (4R) -;2-Oxazolol, 4-[[3-[2- (dimethylamino) ethyl]-1H-indol-5-yl]methyl]-4,5-dihydro-, (4R) -; Zolmitriptan EP Impurity A
Molecular Formula
C16H21N3O2
Molecular Weight
287.36
API Name
Zolmitriptan

Chemical Information

Zolmitriptan, (R)-
CAS Number139264-24-7
PubChem CID441240
IUPAC Name(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular FormulaC16H21N3O2
Molecular Weight287.36
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
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@@H]3COC(=O)N3
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-/m1/s1
InChIKey
ULSDMUVEXKOYBU-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Zolmitriptan, (R)-
CAS: 139264-24-7
CID: 441240
Formula: C16H21N3O2
MW: 287.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.36
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass287.16337692
Monoisotopic Mass287.16337692
Topological Polar Surface Area57.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity375
Isotope Atom Count0
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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