AHD

4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE

Created:	2005-01-11
Last modified:	2020-05-26

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12 entries where AHD is found as a standalone ligand

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Chemical Details
Formal Charge	-4
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of AHD

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Chemical Component Summary
Name	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE
Synonyms	ALENDRONATE; FOSAMAX (TM)
Systematic Name (OpenEye OEToolkits)	4-azanyl-1,1-diphosphonato-butan-1-ol
Formula	C₄ H₉ N O₇ P₂
Molecular Weight	245.064
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-]
SMILES	CACTVS	3.370	NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O
SMILES	OpenEye OEToolkits	1.7.2	C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN
Canonical SMILES	CACTVS	3.370	NCCCC(O)([P]([O-])([O-])=O)[P]([O-])([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN
InChI	InChI	1.03	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4
InChIKey	InChI	1.03	OGSPWJRAVKPPFI-UHFFFAOYSA-J

Related Resource References

Resource Name	Reference
PubChem	5459353
CCDC/CSD	JEFFUZ

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