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2D Structure
Also known as: Domar, 52463-83-9, Pinazepam [inn], Zami 905, Duna, Z-905
Molecular Formula
C18H13ClN2O
Molecular Weight
308.8  g/mol
InChI Key
MFZOSKPPVCIFMT-UHFFFAOYSA-N
FDA UNII
5286RBZ882

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
2.1.2 InChI
InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2
2.1.3 InChI Key
MFZOSKPPVCIFMT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
5286RBZ882
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7-chloro-5-phenyl-1-propargyl-1,4-benzodiazepin-2- One

2. Domar

3. Duna

4. Propazepam

5. Z-905

2.3.2 Depositor-Supplied Synonyms

1. Domar

2. 52463-83-9

3. Pinazepam [inn]

4. Zami 905

5. Duna

6. Z-905

7. 7-chloro-1-propargyl-5-phenyl-2h-1,4-benzodiazepin-2-one

8. 7-chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-2h-1,4-benzodiazepin-2-one

9. 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2-propynyl)-

10. Pinazepam (inn)

11. 7-chloro-2,3-dihydro-5-phenyl-1-propargyl-1h-1,4-benzodiazepin-2-one

12. 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-propynyl)-

13. 5286rbz882

14. Pinazepamum

15. Pinazepamum [inn-latin]

16. Einecs 257-934-9

17. Brn 0758533

18. Dea No. 2883

19. Unii-5286rbz882

20. Domar (tn)

21. 7-chloro-5-phenyl-1-prop-2-ynyl-3h-1,4-benzodiazepin-2-one

22. Pinazepam [mi]

23. Pinazepam [mart.]

24. Pinazepam [who-dd]

25. Schembl155928

26. Chembl1213352

27. Dtxsid3023475

28. Chebi:135315

29. Db13335

30. D07314

31. Q7194856

32. 7-chloro-5-phenyl-1-prop-2-ynyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

33. 7-chloro-5-phenyl-1-(2-propynyl)-1,3-dihydro-2h-1,4-benzodiazepin-2-one #

34. 7-chloro-5-phenyl-1-(prop-2-yn-1-yl)-2,3-dihydro-1h-1,4-benzodiazepin-2-one

35. 7-chloro-5-phenyl-1-prop-2-yn-1-yl-1,3-dihydro-2h-1,4-benzodiazepin-2-one

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 308.8 g/mol
Molecular Formula C18H13ClN2O
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass308.0716407 g/mol
Monoisotopic Mass308.0716407 g/mol
Topological Polar Surface Area32.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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.)


4.2 ATC Code

N - Nervous system

N05 - Psycholeptics

N05B - Anxiolytics

N05BA - Benzodiazepine derivatives

N05BA14 - Pinazepam