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Echinatine

CAT: 1459-CS-O-42669Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-42669Size:1 Each
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Description
Echinatine is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Echinatine. The product is supplied by Clearsynth under CAT No. CS-O-42669. 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
480-83-1
Synonyms
Echinatine
Molecular Formula
C 15 H 25 NO 5
Molecular Weight
299.36
Additionnal Information
Echinatine is supplied with detailed characterization data compliant with regulatory guideline. Echinatine 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 Echinatine.
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

((1S,7aR)-2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate

echinatine has been reported in Cynoglossum germanicum, Heliotropium supinum, and other organisms with data available.

CAS Number480-83-1
PubChem CID12310804
IUPAC Name[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Molecular FormulaC15H25NO5
Molecular Weight299.36
XLogP-0.4
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity436
SMILES
C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)O
InChI
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
InChIKey
SFVVQRJOGUKCEG-DNVSUFBTSA-N
Chemical Structure
2D Structure
2D structure of ((1S,7aR)-2,3,5,7a-Tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl (2S,3S)-2,3-dihydroxy-2-(1-methylethyl)butanoate
CAS: 480-83-1
CID: 12310804
Formula: C15H25NO5
MW: 299.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.36
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass299.17327290
Monoisotopic Mass299.17327290
Topological Polar Surface Area90.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-121286Echinatine
AR-E09265-01Echinatine-d7
TRC-E325623-10MG(+)-Echinatine
TRC-E378515-10MGEchinatine Oxide
TN3915-01Echinatine N-oxide
AR-E09266-01Echinatine N-Oxide-d7

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