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Picrotoxin

CAT: 0286-P19270-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-P19270-02Size:5 g
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CAS Number
124-87-8
Synonyms
Cocculin
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00074824
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Picrotoxin

Cocculus appears as a poisonous berry, the dried fruit of Anamirta cocculus L. Contains several substances including about one percent picrotoxin. Pure picrotoxin occurs as shiny leaflets with an intensely bitter taste or as a microcrystalline powder. Very poisonous!. Used in medicine as a central nervous system stimulant and antidote for barbiturate poisoning. Not currently regarded as a useful therapeutic agent.

CAS Number124-87-8
PubChem CID31304
IUPAC Name(1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione;(1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Molecular FormulaC30H34O13
Molecular Weight602.6
Topological Polar Surface Area191
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count43
Formal Charge0
Complexity1290
SMILES
CC(=C)[C@@H]1C2[C@@H]3[C@@]4([C@](C1C(=O)O2)(CC5[C@]4(O5)C(=O)O3)O)C.C[C@@]12[C@H]3C4[C@H](C([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
InChI
InChI=1S/C15H18O7.C15H16O6/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9;1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h5-9,18-19H,4H2,1-3H3;6-10,18H,1,4H2,2-3H3/t5-,6+,7?,8?,9-,13-,14-,15+;6?,7-,8?,9?,10+,13+,14+,15-/m10/s1
InChIKey
VJKUPQSHOVKBCO-ZTYBEOBUSA-N
Chemical Structure
2D Structure
2D structure of Picrotoxin
CAS: 124-87-8
CID: 31304
Formula: C30H34O13
MW: 602.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass602.19994113
Monoisotopic Mass602.19994113
Topological Polar Surface Area191 Ų
Heavy Atom Count43
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FP52506-01Picrotoxin
A14004-1000Picrotoxin 1000mg
241270-01Picrotoxin (Cocculin) 98+%
93418-01Picrotoxin pure, 98%
BP166191Picrotoxin - Bio-X TM
256251Picrotoxin discontinued. See 241270
TRC-P437630-1GPicrotoxin (1:1 Mixture of Picrotoxinin and Picrotin)

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