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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Bismuth(3+) tris(2-propylvalerate), 94071-09-7, Unii-87ptx621fi, Bismuth dipropylacetate, 87ptx621fi, Einecs 301-809-4

Molecular Formula

C₂₄H₄₅BiO₆

Molecular Weight

638.6 g/mol

InChI Key

YZDVVHSLIPLZLO-UHFFFAOYSA-K

FDA UNII

87PTX621FI

Valproate bismuth is available in Canada in the over-the-counter medication Neo-Laryngobis.

1 2D Structure

Bismuth Valproate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bismuth;2-propylpentanoate

2.1.2 InChI

InChI=1S/3C8H16O2.Bi/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3

2.1.3 InChI Key

YZDVVHSLIPLZLO-UHFFFAOYSA-K

2.2 Other Identifiers

2.2.1 UNII

87PTX621FI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (none)

2.3.2 Depositor-Supplied Synonyms

1. Bismuth(3+) Tris(2-propylvalerate)

2. 94071-09-7

3. Unii-87ptx621fi

4. Bismuth Dipropylacetate

5. 87ptx621fi

6. Einecs 301-809-4

7. Einecs 262-199-2

8. Dtxsid50240373

9. 60364-28-5

10. Bismuth Dipropylacetate [who-dd]

11. Dtxsid60209133

12. Dtxcid50162864

13. Dtxcid80131624

14. Bismuth(3+) Tris(2-propylpentanoate)

15. Bismuth 2-propylvalerate

16. Schembl1311804

17. Yzdvvhsliplzlo-uhfffaoysa-k

18. Bismuth(3+)tris(2-propylvalerate)

19. Db13910

20. Ns00091875

21. Q27269835

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₄₅BiO₆
Molecular Weight	638.6 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	120
Heavy Atom Count	31
Formal Charge	0
Complexity	87.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4