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Monocrotaline

CAT: 1459-CS-T-58906Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-58906Size:1 Each
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Description
Monocrotaline is listed under Pesticide Standards and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Monocrotaline. The product is supplied by Clearsynth under CAT No. CS-T-58906. 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
315-22-0
Synonyms
Monocrotaline
Molecular Formula
C 16 H 23 NO 6
Molecular Weight
325.4
Additionnal Information
Monocrotaline is supplied with detailed characterization data compliant with regulatory guideline. Monocrotaline 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 Monocrotaline.
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

Monocrotaline

Monocrotaline can cause cancer according to an independent committee of scientific and health experts.

CAS Number315-22-0
PubChem CID9415
IUPAC Name(1R,4R,5R,6R,16R)-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
Molecular FormulaC16H23NO6
Molecular Weight325.36
XLogP-0.7
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity575
SMILES
C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
InChI
InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChIKey
QVCMHGGNRFRMAD-XFGHUUIASA-N
Chemical Structure
2D Structure
2D structure of Monocrotaline
CAS: 315-22-0
CID: 9415
Formula: C16H23NO6
MW: 325.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.36
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass325.15253745
Monoisotopic Mass325.15253745
Topological Polar Surface Area96.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M105-5MGMonocrotaline

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