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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 35944-74-2, 36557-22-9, Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride, Skv88232pj, 2852-42-8, Methyl 1-(1-phenylethyl)-1h-imidazole-5-carboxylate hydrochloride

Molecular Formula

C₁₃H₁₅ClN₂O₂

Molecular Weight

266.72 g/mol

InChI Key

NZEDTZKNEKPBGR-UHFFFAOYSA-N

FDA UNII

SKV88232PJ

1 2D Structure

Metomidate Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride

2.1.2 InChI

InChI=1S/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H

2.1.3 InChI Key

NZEDTZKNEKPBGR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OC.Cl

2.2 Other Identifiers

2.2.1 UNII

SKV88232PJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 35944-74-2

2. 36557-22-9

3. Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride

4. Skv88232pj

5. 2852-42-8

6. Methyl 1-(1-phenylethyl)-1h-imidazole-5-carboxylate Hydrochloride

7. Nsc168403

8. Nsc-168403

9. Dsstox_cid_25707

10. Dsstox_rid_81079

11. Dsstox_gsid_45707

12. Hypnodil Hydrochloride

13. Metomidat-hydrochloride

14. Methyl 1-(1-phenylethyl)imidazole-5-carboxylate Hydrochloride

15. Methyl 1-(1-phenylethyl)-1h-imidazole-5-carboxylate Xhydrochloride

16. 1h-imidazole-5-carboxylic Acid, 1-(1-phenylethyl)-, Methyl Ester, Hydrochloride (1:)

17. Metomidatehydrochloride

18. Cas-35944-74-2

19. Ncgc00073457-03

20. Einecs 253-104-5

21. Nsc 168403

22. Unii-skv88232pj

23. Metomidate Hcl

24. 3-(1-phenyl-ethyl)-3h-imidazole-4-carboxylic Acid Methyl Ester

25. Metomidate Chloride

26. Dl-1-(1-phenethyl)imidazole-5-carboxylic Acid Methyl Ester Hydrochloride

27. 1-(1-phenethyl)-imidazole-5-carboxylic Acid, Methyl Ester, Hydrochloride

28. 1h-imidazole-5-carboxylic Acid, 1-(1-phenylethyl)-, Methyl Ester, Monohydrochloride

29. Imidazole-5-carboxylic Acid, 1-(alpha-methylbenzyl)-, Methyl Ester, Hydrochloride

30. Imidazole-5-carboxylic Acid, 1-(alpha-methylbenzyl)-, Methyl Ester, Hydrochloride, Dl-

31. Hypnodil [veterinary] (tn)

32. Mls000034942

33. Schembl1845324

34. Chembl1506761

35. Dtxsid0045707

36. Metomidate Hcl;nsc 168403

37. Amy38876

38. Bcp26087

39. Tox21_110988

40. Mfcd01721715

41. Akos024462788

42. Tox21_110988_1

43. Ds-7932

44. (+/-)-metomidate Hydrochloride

45. Metomidate Hydrochloride [mart.]

46. Metomidate Hydrochloride [usp-rs]

47. Ncgc00073457-04

48. Smr000010930

49. Cs-0187451

50. (s)-metomidate Hydrochloride > 95 %

51. D08211

52. F20564

53. Metomidate Hydrochloride [usp Impurity]

54. A874493

55. Sr-01000322422

56. Sr-01000322422-1

57. Q27289258

58. 1h-imidazole-5-carboxylic Acid, Methyl Ester, Monohydrochloride

59. Methyl 3-(1-phenylethyl) Imidazole-4-carboxylate Hydrochloride

60. Methyl 1-(.alpha.-methylbenzyl)imidazole-5-carboxylate Hydrochloride

61. 1h-imidazole-5-carboxylic Acid, 1-(1-phenylethyl)-, Methyl Ester, Hydrochloride (1:?)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅ClN₂O₂
Molecular Weight	266.72 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	266.0822054 g/mol
Monoisotopic Mass	266.0822054 g/mol
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	264
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	2