Homatropine Hydrobromide

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Also known as: 51-56-9, Tropine mandelate hydrobromide, Sr-01000075900, Alpha-hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide, Homatropinhydrobromid, Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide

Molecular Formula

C₁₆H₂₂BrNO₃

Molecular Weight

356.25 g/mol

InChI Key

DWSGTFTVBLXELC-UHFFFAOYSA-N

1 2D Structure

Homatropine Hydrobromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide

2.1.2 InChI

InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H

2.1.3 InChI Key

DWSGTFTVBLXELC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 51-56-9

2. Tropine Mandelate Hydrobromide

3. Sr-01000075900

4. Alpha-hydroxybenzeneacetic Acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl Ester Hydrobromide

5. Homatropinhydrobromid

6. Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate Hydrobromide

7. Schembl41951

8. Tox21_500592

9. Akos015964977

10. Akos015998946

11. Ac-1694

12. Ccg-208522

13. Lp00592

14. Ncgc00093971-01

15. Ncgc00093971-02

16. Ncgc00093971-03

17. Ncgc00094693-01

18. Ncgc00094693-02

19. Ncgc00261277-01

20. Db-022458

21. Eu-0100592

22. Ft-0603222

23. H 0126

24. Q4142891

25. Sr-01000075900-1

26. Sr-01000075900-7

27. Homatropine Hydrobromide, European Pharmacopoeia (ep) Reference Standard

28. Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl-2-hydroxy-2-phenylacetate Hydrobromide

29. Homatropine Hydrobromide, United States Pharmacopeia (usp) Reference Standard

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₂BrNO₃
Molecular Weight	356.25 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	355.07831 g/mol
Monoisotopic Mass	355.07831 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2