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Picrotoxin 1000mg

CAT: 0628-A14004-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A14004-1000Size:1000 mg
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CAS Number
18172-33-3

Chemical Information

Cyclopiazonic Acid

cyclopiazonic acid has been reported in Penicillium cyclopium, Penicillium vinaceum, and other organisms with data available.

CAS Number18172-33-3
PubChem CID54682463
IUPAC Name(2R,3S,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one
Molecular FormulaC20H20N2O3
Molecular Weight336.4
XLogP2.2
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity697
SMILES
CC(=O)C1=C([C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
InChI
InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1
InChIKey
SZINUGQCTHLQAZ-DQYPLSBCSA-N
Chemical Structure
2D Structure
2D structure of Cyclopiazonic Acid
CAS: 18172-33-3
CID: 54682463
Formula: C20H20N2O3
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass336.14739250
Monoisotopic Mass336.14739250
Topological Polar Surface Area73.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity697
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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