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Chemistry

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Also known as: Ambroxol acefyllinate, Ambromucil, Broncomnes, Surfolase, 96989-76-3, Ambroxol theophyllinacetate
Molecular Formula
C22H28Br2N6O5
Molecular Weight
616.3  g/mol
InChI Key
IPUHJDQWESJTGD-UHFFFAOYSA-N
FDA UNII
0HM1E174TN

Acebrophylline
1 2D Structure

Acebrophylline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
2.1.2 InChI
InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)
2.1.3 InChI Key
IPUHJDQWESJTGD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
2.2 Other Identifiers
2.2.1 UNII
0HM1E174TN
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ambroxol-theophylline-7-acetate

2.3.2 Depositor-Supplied Synonyms

1. Ambroxol Acefyllinate

2. Ambromucil

3. Broncomnes

4. Surfolase

5. 96989-76-3

6. Ambroxol Theophyllinacetate

7. 179118-73-1

8. Ambroxol-theophylline-7-acetate

9. Ambroxol Theophyllinate

10. 0hm1e174tn

11. 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic Acid

12. Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, Trans-, Mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7h-purine-7-acetate) (salt)

13. Unii-0hm1e174tn

14. Schembl1650322

15. Chembl4297663

16. Dtxsid60914235

17. Glxc-26022

18. Bcp28655

19. Ambroxol Acefyllinate [mart.]

20. Akos015899892

21. Ambroxol Acefyllinate [who-dd]

22. Db13141

23. Ambroxol Theophyllinate [who-dd]

24. Ambromucil Pound>>ambroxol-theophylline-7-acetate

25. Q19607226

26. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid--4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol (1/1)

27. 7h-purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, Compd. With Trans-4-(((2-amino-3,5-dibromophenyl)methyl)amino)cyclohexanol (1:1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 616.3 g/mol
Molecular Formula C22H28Br2N6O5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass616.04674 g/mol
Monoisotopic Mass614.04879 g/mol
Topological Polar Surface Area154 Ų
Heavy Atom Count35
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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01

Ami Lifesciences Private Limited

India

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Bakul Group

India

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Bakul Group

India

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Globofarm International

India

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Globofarm International

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Atomgrid

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Atomgrid

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Delta Finochem

India

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Delta Finochem

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S.S.Pharmachem

India

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Olon S.p.A

Italy

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Hermes Chemical

India

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Hermes Chemical

India

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Aspire Lifesciences Pvt Ltd

India

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Kores India Limited

India

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24-Jun-2021
04-Sep-2024
KGS
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