NRD

(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid

Created:	2015-11-16
Last modified:	2016-01-20

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3 entries where NRD is found as a standalone ligand1 entries where NRD is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of NRD

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Chemical Component Summary
Name	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
Formula	C₆ H₁₇ N O₇ P₂
Molecular Weight	277.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.4	C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
Canonical SMILES	CACTVS	3.385	NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
InChI	InChI	1.03	InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
InChIKey	InChI	1.03	PUUSSSIBPPTKTP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11620
Name	Neridronic Acid
Groups	experimental investigational
Synonyms	Neridronate (6-amino-1-hydroxyhexylidene)diphosphonic acid Neridronic Acid Neridronate sodium
Categories	Organophosphonates Organophosphorus Compounds
CAS number	79778-41-9

Related Resource References

Resource Name	Reference
Pharos	CHEMBL55214
PubChem	71237
ChEMBL	CHEMBL55214
ChEBI	CHEBI:135145

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