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Chemistry

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Also known as: Distrontium renelate octahydrate, 674773-15-0, 8pd4806e06, Strontium ranelate, 3-thiopheneacetic acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, strontium salt (1:2), octahydrate, Unii-8pd4806e06
Molecular Formula
C12H22N2O16SSr2
Molecular Weight
657.6  g/mol
InChI Key
ZHEZAQJNZMLYBA-UHFFFAOYSA-J
FDA UNII
8PD4806E06

Distrontium Renelate Octahydrate
1 2D Structure

Distrontium Renelate Octahydrate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;octahydrate
2.1.2 InChI
InChI=1S/C12H10N2O8S.8H2O.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;;;;;;;;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);8*1H2;;/q;;;;;;;;;2*+2/p-4
2.1.3 InChI Key
ZHEZAQJNZMLYBA-UHFFFAOYSA-J
2.1.4 Canonical SMILES
C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.[Sr+2].[Sr+2]
2.2 Other Identifiers
2.2.1 UNII
8PD4806E06
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(3-cyano-4-carboxymethyl-5-carboxy-2-thienyl)-3-azapentanedioic Distrontium Salt

2. Protelos

3. S 12911

4. S-12911

5. S12911

6. S12911-0

7. S12911-2

8. S12911-5

9. Strontium Ranelate

2.3.2 Depositor-Supplied Synonyms

1. Distrontium Renelate Octahydrate

2. 674773-15-0

3. 8pd4806e06

4. Strontium Ranelate

5. 3-thiopheneacetic Acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, Strontium Salt (1:2), Octahydrate

6. Unii-8pd4806e06

7. Dtxsid00217833

8. Q27270857

2.4 Create Date
2013-04-19
3 Chemical and Physical Properties
Molecular Weight 657.6 g/mol
Molecular Formula C12H22N2O16SSr2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count4
Exact Mass657.8802283 g/mol
Monoisotopic Mass657.8802283 g/mol
Topological Polar Surface Area224 Ų
Heavy Atom Count33
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count11
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Bone Density Conservation Agents

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)


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