E5E

Noradrenaline

Created:	2018-02-19
Last modified:	2018-02-28

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10 entries where E5E is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	24
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	6

2D diagram of E5E

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Chemical Component Summary
Name	Noradrenaline
Systematic Name (OpenEye OEToolkits)	[(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium
Formula	C₈ H₁₂ N O₃
Molecular Weight	170.186
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[NH3+]C[CH](O)c1ccc(O)c(O)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1C(C[NH3+])O)O)O
Canonical SMILES	CACTVS	3.385	[NH3+]C[C@H](O)c1ccc(O)c(O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(c(cc1[C@H](C[NH3+])O)O)O
InChI	InChI	1.03	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1
InChIKey	InChI	1.03	SFLSHLFXELFNJZ-QMMMGPOBSA-O

Related Resource References

Resource Name	Reference
PubChem	6921840
ChEBI	CHEBI:72587
CCDC/CSD	NADRHC

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