Aluminum, dihydroxy((4,5-dihydro-2-hydroxy-5-oxo-1H-imidazol-4-yl)ureato)-

Synopsis, Chemistry

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Aluminum, dihydroxy((4,5-dihydro-2-hydroxy-5-oxo-1H-imidazol-4-yl)ureato)-

Also known as: Isalon, Dihydroxyaluminum allantoinate, Aluminum, ((2,5-dioxo-4-imidazolidinyl)ureato)dihydroxy-, Chlokale, Peptilate, Aldioxum [inn-latin]

Molecular Formula

C₄H₉AlN₄O₅

Molecular Weight

220.12 g/mol

InChI Key

AMZWNNKNOQSBOP-UHFFFAOYSA-M

1 2D Structure

Aluminum, dihydroxy((4,5-dihydro-2-hydroxy-5-oxo-1H-imidazol-4-yl)ureato)-

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C4H6N4O3.Al.2H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;2*1H2/q;+1;;/p-1

2.1.2 InChI Key

AMZWNNKNOQSBOP-UHFFFAOYSA-M

2.1.3 Canonical SMILES

C1(C(=O)NC(=N1)O[Al])NC(=O)N.O.O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Dihydroxyaluminum Allantoinate

2.2.2 Depositor-Supplied Synonyms

1. Isalon

2. Dihydroxyaluminum Allantoinate

3. Aluminum, ((2,5-dioxo-4-imidazolidinyl)ureato)dihydroxy-

4. Chlokale

5. Peptilate

6. Aldioxum [inn-latin]

7. Aldioxa [usan:inn:jan]

8. Aldioxum

9. Aluminum, (allantoinato)dihydroxy-

10. Aluminum, Dihydroxy(allantoinato)-

11. Einecs 226-964-4

12. Ascomp (tn)

13. Isalon (tn)

14. Dsstox_cid_31563

15. Dsstox_rid_97448

16. Unii-8t66i31ynk

17. Dsstox_gsid_57774

18. Schembl168685

19. Aldioxa (jp17/usan/inn)

20. ((2,5-dioxo-4-imidazolidinyl)ureato)dihydroxyaluminum

21. Chembl3188892

22. Dtxsid8057774

23. Dihydroxy(2-hydroxy-5-oxo-2-imidazolin-4-ylureato)aluminum

24. Tox21_113724

25. Ncgc00253586-01

26. Cas-5579-81-7

27. D02033

28. Aluminum, (n-(2,5-dioxo-4-imidazolidinyl)ureato)dihydroxy-

2.3 Create Date

2007-08-23

3 Chemical and Physical Properties

Molecular Formula	C₄H₉AlN₄O₅
Molecular Weight	220.12 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	220.0388328 g/mol
Monoisotopic Mass	220.0388328 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antacids

Substances that counteract or neutralize acidity of the GASTROINTESTINAL TRACT. (See all compounds classified as Antacids.)

Astringents

Agents, usually topical, that cause the contraction of tissues for the control of bleeding or secretions. (See all compounds classified as Astringents.)