RIS

1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID

Created:	2003-12-17
Last modified:	2020-06-05

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

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Chemical Component Summary
Name	1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID
Synonyms	Risedronate
Systematic Name (OpenEye OEToolkits)	(1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid
Formula	C₇ H₁₁ N O₇ P₂
Molecular Weight	283.112
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1
SMILES	CACTVS	3.341	OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.341	OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
InChIKey	InChI	1.03	IIDJRNMFWXDHID-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00884
Name	Risedronic acid
Groups	approved investigational
Description	Risedronic acid is a third generation bisphosphonate that is used for the treatment of some forms of osteoperosis and Paget's disease[FDA Label][A959,A203111]. It functions by preventing resorption of bone[FDA Label][A959].
Synonyms	Risedronate sodium monohydrate Risedronate sodium Risedronic acid Risedronsäure Acide risédroniqe Risedronate Acidum risedronicum Risedronate sodium hemi-pentahydrate Acido risedronico
Brand Names	Dom-risedronate Atelvia Actonel Actonel Plus Calcium Actonel With Calcium Ratio-risedronate Sandoz Risedronate PHL-risedronate Actonel Sachet Kit Riva-risedronate Risedronate Sodium Actonel Dr Risedronate Sodium Amorphous Fv2910cl Jamp-risedronate Teva-risedronate/calcium Pendo-risedronate Apo-risedronate Teva-risedronate Mylan-risedronate Risedronate Aa-risedronate Dr Q-risedronate Actonel with Calcium Ntp-risedronate Auro-risedronate PMS-risedronate Plus Calcium PMS-risedronate
Indication	Risedronic acid is indicated for the treatment of osteoperosis in men, treatment of Paget's disease, treatment and prevention of osteoperosis in postmenopausal women, and treatment and prevention of glucocorticoid-induced osteoperosis[FDA Label].
Categories	Agents Causing Muscle Toxicity Bisphosphonates Bone Density Conservation Agents Calcium-Regulating Hormones and Agents Cardiovascular Agents Drugs Affecting Bone Structure and Mineralization Drugs for Treatment of Bone Diseases Membrane Transport Modulators Musculo-Skeletal System Organophosphonates Organophosphorus Compounds Pyridines
ATC-Code	M05BB07 M05BB02 M05BB04 M05BA07
CAS number	105462-24-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hydroxylapatite	-	unknown	antagonist
Farnesyl pyrophosphate synthase	MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...	unknown	inhibitor
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inducer

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682