911

(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)

Created:	2011-06-10
Last modified:	2020-06-05

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2 entries where 911 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

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Chemical Component Summary
Name	(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
Synonyms	Etidronic acid
Systematic Name (OpenEye OEToolkits)	(1-oxidanyl-1-phosphono-ethyl)phosphonic acid
Formula	C₂ H₈ O₇ P₂
Molecular Weight	206.028
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)C(O)(C)P(=O)(O)O
SMILES	CACTVS	3.370	CC(O)([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.370	CC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	CC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
InChIKey	InChI	1.03	DBVJJBKOTRCVKF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB01077
Name	Etidronic acid
Groups	approved
Description	Etidronic acid is a first generation bisphosphonate similar to [clodronic acid] and [tiludronic acid].[A203111] These drugs were developed to mimic the action of pyrophosphate, a regulator of calcification and decalcification.[A1923] Etidronate’s use has decreased over the years in favor of the third generation, nitrogen containing bisphosphonate [zoledronic acid], [ibandronic acid], [minodronic acid], and [risedronic acid].[A203111] Etidronic acid was granted FDA approval on 1 September 1977.[L13901]
Synonyms	Acetodiphosphonic acid Etidronsäure Ethane-1-hydroxy-1,1-bisphosphonic acid acidum etidronicum Oxyethylidenediphosphonic acid Etidronic acid 1-Hydroxyethylidene-1,1-diphosphonic acid Etidronate disodium (1-Hydroxyethylidene)diphosphonic acid acide étidronique (1-Hydroxyethylene)diphosphonic acid (1-Hydroxyethylidene)bisphosphonic acid 1-Hydroxyethanediphosphonic acid Etidronate 1-hydroxyethane 1,1-diphosphonic acid 1-Hydroxyethane-1,1-diphosphonic acid ácido etidrónico 1-Hydroxyethylidene-1,1-bisphosphonate Ethane-1-hydroxy-1,1-diphosphonic acid Hydroxyethanediphosphonic acid (Hydroxyethylidene)diphosphonic acid 1-Hydroxyethane-1,1-diphosphonate HEDP 1,1,1-Ethanetriol diphosphonate (1-hydroxy-ethylidene)diphosphonic acid EHDP 1-Hydroxyethane-1,1-bisphosphonic acid 1-Hydroxy-1,1-diphosphonoethane Ethane-1-hydroxy-1,1-diphosphonate (1-Hydroxyethylidene)bis(phosphonic acid)
Brand Names	Act Etidronate Ntp-etidronate Calcium Didronel Apo-etidronate Didronel Inj 50mg/ml Didronel Tab 200mg Etidronate Etidronate Disodium Act Etidrocal Etidrocal Didrocal Novo-etidronatecal Mylan-etidronate Mylan-eti-cal Carepac
Indication	Etidronate is indicated to treat Paget's disease of bone, as well as the treatment and prevention of heterotropic ossification after total hip replacement of spinal cord injury.[L13901]
Categories	Bisphosphonates Bone Density Conservation Agents Drugs Affecting Bone Structure and Mineralization Drugs for Treatment of Bone Diseases Musculo-Skeletal System Organophosphonates Organophosphorus Compounds
ATC-Code	M05BB01 M05BA01
CAS number	2809-21-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Hydroxylapatite	-	unknown	antagonist
Receptor-type tyrosine-protein phosphatase S	MAPTWGPGMVSVVGPMGLLVVLLVGGCAAEEPPRFIKEPKDQIGVSGGVA...	unknown	inhibitor
V-type proton ATPase catalytic subunit A	MDFSKLPKILDEDKESTFGYVHGVSGPVVTACDMAGAAMYELVRVGHSEL...	unknown	inhibitor
ADP/ATP translocase 1	MGDHAWSFLKDFLAGGVAAAVSKTAVAPIERVKLLLQVQHASKQISAEKQ...	unknown	inhibitor
ADP/ATP translocase 2	MTDAAVSFAKDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQITADKQ...	unknown	inhibitor
ADP/ATP translocase 3	MTEQAISFAKDFLAGGIAAAISKTAVAPIERVKLLLQVQHASKQIAADKQ...	unknown	inhibitor
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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