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Monocrotaline

CAT: 1410-M14021-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M14021-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Extracted from Legume Crotalaria assamica; Suitability:Methanol, ethanol, chloroform; Store the product in sealed, cool and dry condition
CAS Number
315-22-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
325.36
Molecular Formula
C16H23NO6
Notes
Research use only, not for human use.
Receptor
TGFβ

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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