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2D Structure
Also known as: Suril, 53813-83-5, Celexane, Rp 31264, Rp-31264, Lnc9g689vr
Molecular Formula
C20H20ClN5O3S2
Molecular Weight
478.0  g/mol
InChI Key
RMXOUBDDDQUBKD-UHFFFAOYSA-N
FDA UNII
LNC9G689VR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate
2.1.2 InChI
InChI=1S/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-5-3-12-2-4-13(21)22-17(12)23-14/h2-5,19H,6-11H2,1H3
2.1.3 InChI Key
RMXOUBDDDQUBKD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3
2.2 Other Identifiers
2.2.1 UNII
LNC9G689VR
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (8-(7-chloro(1,8)naphthyridin-2-yl)-7-oxo-2,5-dithia-8-azabicyclo(4.3.0)non-10-en-9-yl) 4-methylpiperazine-1-carboxylate

2. 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-(1,4)dithiino(2,3-c)pyrrol-5-yl-4-methylpiperazine-1-carboxylate

3. Rp 31264

4. Rp-3124

5. Rp-31264

2.3.2 Depositor-Supplied Synonyms

1. Suril

2. 53813-83-5

3. Celexane

4. Rp 31264

5. Rp-31264

6. Lnc9g689vr

7. Celexane; Rp 31264; Suriclone

8. Suriclonum

9. Suriclon

10. Suriclona

11. Suriclon [inn-french]

12. Suriclonum [inn-latin]

13. Suriclona [inn-spanish]

14. Einecs 258-794-1

15. 6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5h-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methylpiperazine-1-carboxylate

16. Suriclone [inn:ban]

17. Unii-lnc9g689vr

18. Suriclone [inn]

19. Suriclone [mi]

20. Suriclone [mart.]

21. (r,s)-6-(7-chlor-1,8-naphthyridin-2-yl)-3,5,6,7-tetrahydro-5-oxo-2h-(1,4)dithixino(2,3-c)pyrrol-7-yl-4-methyl-1-piperazinylcarboxylat

22. [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate

23. Schembl114688

24. Chembl2105561

25. Dtxsid20866362

26. 31264-rp

27. 4-methyl-1-piperazinecarboxylic Acid Ester With (+-)-6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5h-p-dithiino(2,3-c)pyrrol-5-one

28. Q7646277

29. 1-piperazinecarboxylic Acid, 4-methyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiino(2,3-c)pyrrol-5-yl Ester

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 478.0 g/mol
Molecular Formula C20H20ClN5O3S2
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass477.0696096 g/mol
Monoisotopic Mass477.0696096 g/mol
Topological Polar Surface Area130 Ų
Heavy Atom Count31
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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.)