CONIVAPTAN HYDROCHLORIDE

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Also known as: 168626-94-6, Conivaptan hcl, Vaprisol, Ym 087, Conivaptan (hydrochloride), Ci-1025

Molecular Formula

C₃₂H₂₇ClN₄O₂

Molecular Weight

535.0 g/mol

InChI Key

BTYHAFSDANBVMJ-UHFFFAOYSA-N

FDA UNII

75L57R6X36

1 2D Structure

CONIVAPTAN HYDROCHLORIDE

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride

2.1.2 InChI

InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H

2.1.3 InChI Key

BTYHAFSDANBVMJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6.Cl

2.2 Other Identifiers

2.2.1 UNII

75L57R6X36

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (1,1'-biphenyl)-2-carboxamide, N-(4-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)phenyl)-

2. (1,1'-biphenyl)-2-carboxamide, N-(4-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)phenyl)-, Monohydrochloride

3. 4''-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)-2-biphenylcarboxanilide

4. Ci-1025

5. Conivaptan

6. Conivaptan Hcl

7. Vaprisol

8. Ym 087

9. Ym-087

10. Ym087

2.3.2 Depositor-Supplied Synonyms

1. 168626-94-6

2. Conivaptan Hcl

3. Vaprisol

4. Ym 087

5. Conivaptan (hydrochloride)

6. Ci-1025

7. Conivaptan Hydrochloride [usan]

8. Ym-087

9. N-[4-(2-methyl-4,5-dihydro-3h-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide Hydrochloride

10. Ym087

11. Conivaptan Hcl (vaprisol)

12. 8626-94-6

13. Chebi:31430

14. 75l57r6x36

15. (1,1'-biphenyl)-2-carboxamide, N-(4-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)phenyl)-, Monohydrochloride

16. [1,1'-biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1h)-yl)carbonyl]phenyl]-, Hydrochloride (1:1)

17. 4'-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)-2-biphenylcarboxanilide Monohydrochloride

18. N-(4-(2-methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxamide Hydrochloride

19. 4'-[(2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepin-6-yl)-carbonyl]-2-phenylbenzanilide Monohydrochloride

20. N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),4,10,12-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide Hydrochloride

21. Smr004701209

22. Unii-75l57r6x36

23. Vaprisol (tn)

24. Mls006010030

25. Mls006010233

26. Schembl387232

27. Conivaptan Hcl [vandf]

28. Chembl1201108

29. Dtxsid70168585

30. Vaprisol, Conivaptan Hydrochloride

31. Bcp28426

32. Ex-a1128

33. Conivaptan Hydrochloride (jan/usan)

34. Conivaptan Hydrochloride [mi]

35. Hy-18347a

36. Mfcd00945712

37. Conivaptan Hydrochloride [jan]

38. Akos015994583

39. Akos025401635

40. Ccg-269940

41. Cs-2015

42. Fe-0225

43. Conivaptan Hydrochloride [mart.]

44. Conivaptan Hydrochloride [who-dd]

45. Ac-23918

46. N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1h)-yl)carbonyl]phenyl]-[1,1'-biphenyl]-2-carboxamide Hydrochloride

47. Db-064699

48. Am20090724

49. Ft-0657174

50. Sw219215-1

51. Conivaptan Hydrochloride [orange Book]

52. D01236

53. 626c946

54. A810997

55. J-010472

56. Q27114306

57. 4''-((4,5-dihydro-2-methylimidazo(4,5-d)(1)benzazepin-6(1h)-yl)carbonyl)-2-biphenylcarboxanilide Monohydrochloride

58. 4'-[(2-methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepin-6-yl)carbonyl]-2-phenylbenzanilide Hydrochloride

59. N-(4-(2-methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine-6-carbonyl)phenyl)-[1,1'-biphenyl]-2-carboxamidehydrochloride

60. N-[4-(2-methyl-4,5-dihydro-1h-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride

61. N-[4-(2-methyl-4,5-dihydro-3h-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride

62. N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1h)-yl)carbonyl]phenyl]-[1,1?-biphenyl]-2-carboxamide Hydrochloride

63. N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1h)-yl)carbonyl]phenyl}biphenyl-2-carboxamide Hydrochloride

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₂₇ClN₄O₂
Molecular Weight	535.0 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	534.1822538 g/mol
Monoisotopic Mass	534.1822538 g/mol
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	820
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Vaprisol
PubMed Health	Conivaptan (Injection)
Drug Classes	Endocrine-Metabolic Agent
Drug Label	Conivaptan hydrochloride is chemically [1,1'-biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-, monohydrochloride, having a molecular weight of 535.04 and molecular formula C32H26N4O2HCl. Th...
Active Ingredient	Conivaptan hydrochloride
Dosage Form	Injectable
Route	injection
Strength	20mg
Market Status	Prescription
Company	Astellas

2 of 2
Drug Name	Vaprisol
PubMed Health	Conivaptan (Injection)
Drug Classes	Endocrine-Metabolic Agent
Drug Label	Conivaptan hydrochloride is chemically [1,1'-biphenyl]-2-carboxamide, N-[4-[(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl]-, monohydrochloride, having a molecular weight of 535.04 and molecular formula C32H26N4O2HCl. Th...
Active Ingredient	Conivaptan hydrochloride
Dosage Form	Injectable
Route	injection
Strength	20mg
Market Status	Prescription
Company	Astellas

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Antidiuretic Hormone Receptor Antagonists

Endogenous compounds and drugs that inhibit or block the activity of ANTIDUIRETIC HORMONE RECEPTORS. (See all compounds classified as Antidiuretic Hormone Receptor Antagonists.)