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Loprazolam Mesilate

Loprazolam Mesilate

Synopsis, Chemistry

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Also known as: Loprazolam mesilate, Dormonoct, Loprazolam methanesulfonate, Somnovit, Sonin, Havlane

Molecular Formula

C₂₄H₂₅ClN₆O₆S

Molecular Weight

561.0 g/mol

InChI Key

DDSDPQHQLNAGLJ-YEBWQKSTSA-N

FDA UNII

VKF8383J65

1 2D Structure

Loprazolam Mesilate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2Z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4H-imidazo[1,2-a][1,4]benzodiazepin-1-one;methanesulfonic acid

2.1.2 InChI

InChI=1S/C23H21ClN6O3.CH4O3S/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24;1-5(2,3)4/h2-7,12,14H,8-11,13H2,1H3;1H3,(H,2,3,4)/b19-14-;

2.1.3 InChI Key

DDSDPQHQLNAGLJ-YEBWQKSTSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C=C2C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl.CS(=O)(=O)O

2.1.5 Isomeric SMILES

CN1CCN(CC1)/C=C\2/C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl.CS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

VKF8383J65

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 8-nitro-6-(o-chlorophenyl)-1,2-dihydro-2-(n-methylpiperazin-1-yl)methylene-1h,4h-imidazo (1,2-a)(1,4)benzodiazepin-1-one Methanesulfonate

2. Hr 158

3. Hr 458

4. Loprazolam

5. Ru 31158

6. Triazulenone

7. Triazulenone Mesylate

8. Triazulenone, (z)-isomer

2.3.2 Depositor-Supplied Synonyms

1. Loprazolam Mesilate

2. Dormonoct

3. Loprazolam Methanesulfonate

4. Somnovit

5. Sonin

6. Havlane

7. 70111-54-5

8. Ru-31158

9. Vkf8383j65

10. Hr-158

11. Triazulenone Mesylate

12. Unii-vkf8383j65

13. Havlane (tn)

14. Hr 158

15. Schembl352745

16. 61197-93-1

17. Loprazolam Mesilate [mart.]

18. Loprazolam Mesilate [who-dd]

19. Loprazolam Methanesulfonate [mi]

20. D08145

21. Q27291872

22. (2z)-6-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methylidene]-8-nitro-4h-imidazo[1,2-a][1,4]benzodiazepin-1-one;methanesulfonic Acid

23. (z)-6-(2-chlorophenyl)-2-((4-methylpiperazin-1-yl)methylene)-8-nitro-2,4-dihydro-1h-benzo[f]imidazo[1,2-a][1,4]diazepin-1-one Methanesulfonate

24. 1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 6-(2-chlorophenyl)-2,4-dihydro-2-((4-methyl-1-piperazinyl)methylene)-8-nitro-, (2z)-, Methanesulfonate (1:1)

25. 1h-imidazo(1,2-a)(1,4)benzodiazepin-1-one, 6-(2-chlorophenyl)-2,4-dihydro-2-((4-methyl-1-piperazinyl)methylene)-8-nitro-, Monomethanesulfonate

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₂₅ClN₆O₆S
Molecular Weight	561.0 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	560.1244814 g/mol
Monoisotopic Mass	560.1244814 g/mol
Topological Polar Surface Area	160 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	984
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Anxiety Agents

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)