IDD

(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL

Created:	2002-05-22
Last modified:	2021-03-01

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2 entries where IDD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	12

2D diagram of IDD

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Chemical Component Summary
Name	(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Synonyms	GLUCO-PHENYLIMIDAZOLE
Systematic Name (OpenEye OEToolkits)	(5R,6R,7S,8S)-5-(hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-f]pyridine-6,7,8-triol
Formula	C₁₄ H₁₆ N₂ O₄
Molecular Weight	276.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC2c1nc(cn1C(C(O)C2O)CO)c3ccccc3
SMILES	CACTVS	3.341	OC[CH]1[CH](O)[CH](O)[CH](O)c2nc(cn12)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cn3c(n2)C(C(C(C3CO)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc(cn12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChI	InChI	1.03	InChI=1S/C14H16N2O4/c17-7-10-11(18)12(19)13(20)14-15-9(6-16(10)14)8-4-2-1-3-5-8/h1-6,10-13,17-20H,7H2/t10-,11-,12+,13-/m1/s1
InChIKey	InChI	1.03	DLVNFMROYKHANV-FVCCEPFGSA-N

Drug Info: DrugBank

DrugBank ID	DB02862
Name	Gluco-Phenylimidazole
Groups	experimental
Synonyms	Gluco-Phenylimidazole

Related Resource References

Resource Name	Reference
PubChem	5288604

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