EP1

3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID

Created:	2003-11-20
Last modified:	2011-06-04

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9 entries where EP1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	0

2D diagram of EP1

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Chemical Component Summary
Name	3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID
Systematic Name (OpenEye OEToolkits)	3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid
Formula	C₉ H₂₀ N₂ O₄ S
Molecular Weight	252.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCCN1CCN(CCO)CC1
SMILES	CACTVS	3.341	OCCN1CCN(CCC[S](O)(=O)=O)CC1
SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCCS(=O)(=O)O)CCO
Canonical SMILES	CACTVS	3.341	OCCN1CCN(CCC[S](O)(=O)=O)CC1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCCS(=O)(=O)O)CCO
InChI	InChI	1.03	InChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
InChIKey	InChI	1.03	OWXMKDGYPWMGEB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	85255, 28147259
ChEBI	CHEBI:42298

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