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Chemistry

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Also known as: 85815-37-8, Rilmazafone hcl, 25t258x8bv, 450191-s, 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride, Unii-25t258x8bv
Molecular Formula
C21H21Cl3N6O3
Molecular Weight
511.8  g/mol
InChI Key
KHINGHZNENOVFD-UHFFFAOYSA-N
FDA UNII
25T258X8BV

Rilmazafone Hydrochloride
1 2D Structure

Rilmazafone Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride
2.1.2 InChI
InChI=1S/C21H20Cl2N6O3.ClH/c1-28(2)21(32)20-26-17(11-25-18(30)10-24)29(27-20)16-8-7-12(22)9-14(16)19(31)13-5-3-4-6-15(13)23;/h3-9H,10-11,24H2,1-2H3,(H,25,30);1H
2.1.3 InChI Key
KHINGHZNENOVFD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
25T258X8BV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2-(2-chlorobenzoyl)-4-chlorophenyl)-5-glycylaminomethyl-3-dimethylaminocarbonyl-1h-1,2,4-triazole Hydrochloride

2. 450191-s

3. Rilmazafone

4. S 450191

5. S-450191

2.3.2 Depositor-Supplied Synonyms

1. 85815-37-8

2. Rilmazafone Hcl

3. 25t258x8bv

4. 450191-s

5. 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-n,n-dimethyl-1,2,4-triazole-3-carboxamide;hydrochloride

6. Unii-25t258x8bv

7. Ccris 1929

8. Rilmazafone Hydrochloride [jan]

9. Rilmazafonehydrochloride

10. 450191s

11. Schembl409409

12. Dtxsid80235095

13. Hy-u00228

14. Cs-7384

15. Rilmazafone Hydrochloride [mart.]

16. 1h-1,2,4-triazole-3-carboxamide, 5-(((aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n,n-dimethyl-, Monohydrochloride, Dihydrate

17. Rilmazafone Hydrochloride [who-dd]

18. Rilmazafone Hydrochloride Anhydrous

19. Q27253998

20. 5-(((2-aminoacetyl)amino)methyl)-1-(4-chloro-2-(2-chlorobenzoyl)phenyl)-n,n-dimethyl-1h-1,2,4-triazole-3-carboxamide Hydrochloride

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 511.8 g/mol
Molecular Formula C21H21Cl3N6O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass510.074072 g/mol
Monoisotopic Mass510.074072 g/mol
Topological Polar Surface Area123 Ų
Heavy Atom Count33
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Hypnotics and Sedatives

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. (See all compounds classified as Hypnotics and Sedatives.)


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