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Chemistry

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Also known as: 35898-87-4, Dilazep [inn], F8klc2bd5z, Chembl126075, 3,3'-(1,4-diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat), Dilazep (inn)

Molecular Formula

C₃₁H₄₄N₂O₁₀

Molecular Weight

604.7 g/mol

InChI Key

QVZCXCJXTMIDME-UHFFFAOYSA-N

FDA UNII

F8KLC2BD5Z

Coronary vasodilator with some antiarrhythmic activity.

1 2D Structure

Dilazepam

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

2.1.2 InChI

InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3

2.1.3 InChI Key

QVZCXCJXTMIDME-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC

2.2 Other Identifiers

2.2.1 UNII

F8KLC2BD5Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Asta C 4898

2. Biopropazepan Trimethoxybenzoate

3. C 4898, Asta

4. Cormelian

5. Trimethoxybenzoate, Biopropazepan

2.3.2 Depositor-Supplied Synonyms

1. 35898-87-4

2. Dilazep [inn]

3. F8klc2bd5z

4. Chembl126075

5. 3,3'-(1,4-diazepan-1,4-diyl)dipropyl Bis(3,4,5-trimethoxybenzoat)

6. Dilazep (inn)

7. Ncgc00016747-03

8. (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

9. Dsstox_cid_25425

10. Dsstox_rid_80871

11. Tetrahydro-1h-1,4-diazepine-1,4(5h)-dipropanol 3,4,5-trimethoxybenzoate (diester)

12. Dsstox_gsid_45425

13. Dilazepam

14. Dilazepum

15. 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate

16. Dilazepum [inn-latin]

17. Dilazepam [inn-spanish]

18. Benzoic Acid, 3,4,5-trimethoxy-,(tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-3,1-propanediyl Ester

19. Cas-35898-87-4

20. Unii-f8klc2bd5z

21. Benzoic Acid, 3,4,5-trimethoxy-, (tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di-3,1-propanediyl Ester

22. Ki 2119

23. Tocris-0481

24. Dilazep [mi]

25. 20153-98-4

26. Prestwick0_000236

27. Prestwick1_000236

28. Prestwick2_000236

29. Prestwick3_000236

30. Dilazep [who-dd]

31. Lopac0_000369

32. Schembl48830

33. Bspbio_000311

34. Spbio_002232

35. Bpbio1_000343

36. Gtpl4717

37. Dtxsid9045425

38. Chebi:92842

39. Glxc-25687

40. Hms2090a11

41. 1,4-bis(3,4,5-trimethoxybenzyloxy)propyl)perhydro-1,4-diazepin

42. Tox21_110588

43. Bdbm50017691

44. Zinc22454221

45. 3,3'-(1,4-diazepan-1,4-diyl)dipropyl Bis(3,4,5-trimethoxybenzoat) [iupac]

46. Tox21_110588_1

47. Db13715

48. Ncgc00016747-01

49. Ncgc00016747-02

50. Ncgc00016747-04

51. Ncgc00016747-05

52. Ncgc00016747-07

53. Ncgc00024610-01

54. Ncgc00024610-02

55. 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate

56. Cas-20153-98-4

57. D07843

58. Q5276700

59. Sr-01000075817-3

60. Brd-k48722258-003-04-5

61. Brd-k48722258-300-03-7

62. Brd-k48722258-300-05-2

63. Brd-k48722258-300-07-8

64. (1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

65. 3,3'-(1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) Bis(3,4,5-trimethoxybenzoate)

66. 3,4,5-trimethoxybenzoic Acid 3-[4-[3-[oxo-(3,4,5-trimethoxyphenyl)methoxy]propyl]-1,4-diazepan-1-yl]propyl Ester

67. 8dz

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₄₄N₂O₁₀
Molecular Weight	604.7 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	18
Exact Mass	604.29959560 g/mol
Monoisotopic Mass	604.29959560 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	727
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

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

4.2 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01D - Vasodilators used in cardiac diseases

C01DX - Other vasodilators used in cardiac diseases

C01DX10 - Dilazep

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