Common molecules sample 50946

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Empirical formula:	C₁₂H₂₅N₇O₅Cl₂
a:	9.213 Å
b:	11.837 Å
c:	18.573 Å
α (alpha):	90.00 °
β (beta):	90.00 °
γ (gamma):	90.00 °
Volume:	2025.47 Å³
Space group:	P212121
Calculated density:	1.372 g/cm³
Z:	4
Temperature:	22.0 °C
Formula weight:	418.280 g/mole
R(F):	0.0440
Structural formula:	C₁₂H₂₃N₇O₄²⁺, 2(Cl₁^1-), H₂O₁
Common name:	Saxitoxin ethyl hemiketal dihydrochloride monohydrate
Empirical formula - less solvent:	C₁₂H₂₃N₇O₄
CSD refcode:	SAXEKC
Short description:	Saxitioxin is harbored in puffer fish, rendering the fish quite poisonous.
Keyword:	neurotoxin
Keyword:	poisonous
Keyword:	Dinoflagellate algae
Common name:	Saxitoxin
Citation of a publication:	J.Bordner, W.E.Thiessen, H.A.Bates, H.Rapoport (1975) J.Am.Chem.Soc.,97,6008
Layman's explanation:	The toxin found in the fish is known as Saxitioxin. The compound is a neurotoxin, causing numbness and tingling in the lips when ingested, and may lead to paralysis and death if untreated. This toxin is produced by the bacteria Gonyaulax Monilata, found in Dinoflagellate algae. In the United States, there have been a number of poisonings in Florida in people who ingested puffer fish from local waters.
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50946.cif	50946.crt	50946.GIF	50946.pdb	50946.sdt
50946f.crt	50946f.pdb	50946f.sdt