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Zolmitriptan USP Related Compound D

CAT: 1459-CS-O-08470Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-08470Size:1 Each
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Description
Zolmitriptan USP Related Compound D is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Zolmitriptan. The product is supplied by Clearsynth under CAT No. CS-O-08470. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
191864-24-1
Synonyms
Zolmitriptan USP Related Compound D
Molecular Formula
C 19 H 25 N 3 O 4
Molecular Weight
359.4
Additionnal Information
Zolmitriptan USP Related Compound D is supplied with detailed characterization data compliant with regulatory guideline. Zolmitriptan USP Related Compound D can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Zolmitriptan.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Zolmitriptan 2-carboxylic acid ethyl ester
CAS Number191864-24-1
PubChem CID10498674
IUPAC Nameethyl 3-[2-(dimethylamino)ethyl]-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indole-2-carboxylate
Molecular FormulaC19H25N3O4
Molecular Weight359.4
XLogP2.7
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity513
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)C[C@H]3COC(=O)N3)CCN(C)C
InChI
InChI=1S/C19H25N3O4/c1-4-25-18(23)17-14(7-8-22(2)3)15-10-12(5-6-16(15)21-17)9-13-11-26-19(24)20-13/h5-6,10,13,21H,4,7-9,11H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKey
WKXOFVDKSFHGRL-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Zolmitriptan 2-carboxylic acid ethyl ester
CAS: 191864-24-1
CID: 10498674
Formula: C19H25N3O4
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass359.18450629
Monoisotopic Mass359.18450629
Topological Polar Surface Area83.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity513
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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