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Technical details about DSSTox_CID_29006, learn more about the structure, uses, toxicity, action, side effects and more

DSSTox_CID_29006

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

2 Suppliers, 2 Listed Suppliers

DSSTox_CID_29006
Chemistry
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1. Also known as: 66871-56-5, Lidamidine [inn], N-(2,6-dimethylphenyl)-n'-(imino(methylamino)methyl)urea, 1-(2,6-dimethylphenyl)-3-(n'-methylcarbamimidoyl)urea, 2-[({[imino(methylamino)methyl]amino}carbonyl)amino]-1,3-dimethylbenzene, Lidamidine (inn)

Molecular Formula

C₁₁H₁₆N₄O

Molecular Weight

220.27 g/mol

InChI Key

RRHJHSBDJDZUGL-UHFFFAOYSA-N

FDA UNII

Q8X04W8418

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea

2.1.2 InChI

InChI=1S/C11H16N4O/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)

2.1.3 InChI Key

RRHJHSBDJDZUGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N

2.2 Other Identifiers

2.2.1 UNII

Q8X04W8418

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2,6-dimethylphenyl)-3-methylamidinourea

2. Lidamidine, Hydrochloride

3. Lidamidine, Monohydrochloride

4. Whr-1142a

2.3.2 Depositor-Supplied Synonyms

1. 66871-56-5

2. Lidamidine [inn]

3. N-(2,6-dimethylphenyl)-n'-(imino(methylamino)methyl)urea

4. 1-(2,6-dimethylphenyl)-3-(n'-methylcarbamimidoyl)urea

5. 2-[({[imino(methylamino)methyl]amino}carbonyl)amino]-1,3-dimethylbenzene

6. Lidamidine (inn)

7. 1-(2,6-dimethylphenyl)-3-(n-methylcarbamimidoyl)urea

8. Q8x04w8418

9. Ncgc00160661-01

10. Urea, N-(2,6-dimethylphenyl)-n'-(imino(methylamino)methyl)-

11. Dsstox_cid_29006

12. Dsstox_rid_83271

13. Dsstox_gsid_49080

14. Lidamidina

15. Lidamidinum

16. Urea, N-(2,6-dimethylphenyl)-n'-[imino(methylamino)methyl]-

17. Urea,n-(2,6-dimethylphenyl)-n'-[imino(methylamino)methyl]-

18. Lidamidinum [inn-latin]

19. Lidamidina [inn-spanish]

20. Cas-66871-56-5

21. Unii-q8x04w8418

22. Lidamidine [mi]

23. Timtec1_004303

24. Lidamidine [who-dd]

25. Schembl122710

26. Chembl448416

27. Dtxsid4049080

28. Chebi:134907

29. Hms1546d13

30. Tox21_113641

31. Mfcd00449519

32. Stk095480

33. Zinc13115357

34. Akos001737102

35. Tox21_113641_1

36. Ms-3109

37. Ncgc00160661-02

38. 1-(2',6'-dimethylphenyl)-3-methylamidinourea

39. 1-(methylamidino)-3-(2,6-xylyl)urea

40. D08126

41. 1-(2', 6'-dimethylphenyl)-3-methylamidinourea

42. Sr-01000308723

43. Sr-01000308723-1

44. Brd-k68693535-001-01-8

45. Q27287122

46. Urea, 1-(2,6-dimethyl)phenyl-3-(n-methylamidino)-

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆N₄O
Molecular Weight	220.27 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	220.13241115 g/mol
Monoisotopic Mass	220.13241115 g/mol
Topological Polar Surface Area	79.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	267
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antidiarrheals

Miscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition. (See all compounds classified as Antidiarrheals.)

Adrenergic Agonists

Drugs that bind to and activate adrenergic receptors. (See all compounds classified as Adrenergic Agonists.)

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