SY9

STRYCHNINE

Created:	2010-11-19
Last modified:	2011-06-04

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11 entries where SY9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	7
Bond Count	53
Aromatic Bond Count	6

2D diagram of SY9

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Chemical Component Summary
Name	STRYCHNINE
Formula	C₂₁ H₂₂ N₂ O₂
Molecular Weight	334.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	O=C1C[CH]2OCC=C3C[N]4CC[C]56[CH]4C[CH]3[CH]2[CH]5N1c7ccccc67
SMILES	OpenEye OEToolkits	1.6.1	c1ccc2c(c1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5
Canonical SMILES	CACTVS	3.352	O=C1C[C@@H]2OCC=C3C[N@]4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5
InChI	InChI	1.03	InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChIKey	InChI	1.03	QMGVPVSNSZLJIA-FVWCLLPLSA-N

Drug Info: DrugBank

DrugBank ID	DB15954
Name	Strychnine
Groups	experimental
Synonyms	Strychnine sulfate Strychnine Stricnina Strychnidin-10-one Strychnin Strychnine nitrate
Categories	Alkaloids Central Nervous System Agents Central Nervous System Stimulants Compounds used in a research, industrial, or household setting Convulsants Glycine Agents Heterocyclic Compounds, Fused-Ring Indole Alkaloids Indoles Indolizidines Indolizines Neurotransmitter Agents Noxae Poisons Secologanin Tryptamine Alkaloids Toxic Actions
CAS number	57-24-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL227934
PubChem	441071
ChEMBL	CHEMBL227934
ChEBI	CHEBI:28973
CCDC/CSD	ZZZUEE03, ZZZUEE05, ZZZUEE04, ZZZUEE06, ZZZUEE02, ZZZUEE01, VEVLIS, JEKSAT, ZEJMUW, ZEJNAD, YEMBEX, NUVPUP
COD	2100198, 2100199, 2100200, 2100201

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.