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Chemistry

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Also known as: 796104-87-5, 391rt5q293, Ncgc00181349-01, 3-thiopheneacetic acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, strontium salt, hydrate (1:2:7), Distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;heptahydrate, 135459-87-9
Molecular Formula
C12H20N2O15SSr2
Molecular Weight
639.6  g/mol
InChI Key
BHMMKFQLHGVSRL-UHFFFAOYSA-J
FDA UNII
391RT5Q293

Strontium Ranelate
1 2D Structure

Strontium Ranelate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;heptahydrate
2.1.2 InChI
InChI=1S/C12H10N2O8S.7H2O.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);7*1H2;;/q;;;;;;;;2*+2/p-4
2.1.3 InChI Key
BHMMKFQLHGVSRL-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.[Sr+2].[Sr+2]
2.2 Other Identifiers
2.2.1 UNII
391RT5Q293
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 796104-87-5

2. 391rt5q293

3. Ncgc00181349-01

4. 3-thiopheneacetic Acid, 5-(bis(carboxymethyl)amino)-2-carboxy-4-cyano-, Strontium Salt, Hydrate (1:2:7)

5. Distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate;heptahydrate

6. 135459-87-9

7. Unii-391rt5q293

8. Dsstox_cid_26918

9. Dsstox_rid_82014

10. Dsstox_gsid_46918

11. Chembl3182450

12. Dtxsid7046918

13. Tox21_112807

14. Ac-748

15. Mfcd12031997

16. Akos015964936

17. Ncgc00181349-02

18. Cas-796104-87-5

19. Ft-0688439

20. Q27256841

2.4 Create Date
2008-08-12
3 Chemical and Physical Properties
Molecular Weight 639.6 g/mol
Molecular Formula C12H20N2O15SSr2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count18
Rotatable Bond Count4
Exact Mass639.8696636 g/mol
Monoisotopic Mass639.8696636 g/mol
Topological Polar Surface Area223 Ų
Heavy Atom Count32
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 Count10

API Reference Price

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16-Jan-2021
25-Jul-2024
KGS
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Average Price (USD/KGS)

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Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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