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Didesmethyl Zolmitriptan

CAT: 1596-AR-Z01122-02Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01122-02Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139264-15-6
Synonyms
(S) -4- ((3- (2-aminoethyl) -1H-indol-5-yl) methyl) oxazolidin-2-one; (S) -4- ((3- (2-Aminoethyl) -1H-indol-5-yl) methyl) oxazolidin-2-one;4-{[3- (2-Aminoethyl) -1H-indol-5-yl]methyl}-1,3-oxazolidin-2-one; Didesmethyl Zolmitriptan; Zolmitriptan EP Impurity D; N, N-DiDesmethyl Zolmitriptan
Molecular Formula
C14H17N3O2
Molecular Weight
259.31
API Name
Zolmitriptan

Chemical Information

Didesmethyl Zolmitriptan (90%)
CAS Number139264-15-6
PubChem CID10061112
IUPAC Name(4S)-4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
Molecular FormulaC14H17N3O2
Molecular Weight259.30
XLogP1.2
Topological Polar Surface Area80.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity337
SMILES
C1[C@@H](NC(=O)O1)CC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C14H17N3O2/c15-4-3-10-7-16-13-2-1-9(6-12(10)13)5-11-8-19-14(18)17-11/h1-2,6-7,11,16H,3-5,8,15H2,(H,17,18)/t11-/m0/s1
InChIKey
NKOBWHOGNBPTDO-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Didesmethyl Zolmitriptan (90%)
CAS: 139264-15-6
CID: 10061112
Formula: C14H17N3O2
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass259.132076794
Monoisotopic Mass259.132076794
Topological Polar Surface Area80.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity337
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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