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1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-

1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-

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1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-

Also known as: Rwj-333369, 194085-75-1, Ykp-509, Jnj-10234094, Carisbamate (usan), Carisbamate [usan]

Molecular Formula

C₉H₁₀ClNO₃

Molecular Weight

215.63 g/mol

InChI Key

OLBWFRRUHYQABZ-MRVPVSSYSA-N

FDA UNII

P7725I9V3Z

Carisbamate has been investigated in Alcohol Abuse, Substance Abuse, and Alcohol Dependence.

1 2D Structure

1,2-Ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate

2.1.2 InChI

InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1

2.1.3 InChI Key

OLBWFRRUHYQABZ-MRVPVSSYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(COC(=O)N)O)Cl

2.1.5 Isomeric SMILES

C1=CC=C(C(=C1)[C@@H](COC(=O)N)O)Cl

2.2 Other Identifiers

2.2.1 UNII

P7725I9V3Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (s)-(1-2-chlorophenyl)-1,2-ethanediol 2-carbamate

2. Rwj 333369

3. Rwj-333369

4. Rwj333369

5. S-2-o-carbamoyl-1-o-chlorophenyl-ethanol

2.3.2 Depositor-Supplied Synonyms

1. Rwj-333369

2. 194085-75-1

3. Ykp-509

4. Jnj-10234094

5. Carisbamate (usan)

6. Carisbamate [usan]

7. (s)-carisbamate

8. P7725i9v3z

9. Rwj-333369-000

10. (s)-2-(2-chlorophenyl)-2-hydroxyethyl Carbamate

11. (2s)-2-(2-chlorophenyl)-2-hydroxyethyl Carbamate

12. (+)-(2s)-2-(2-chlorophenyl)-2-hydroxyethyl Carbamate

13. 1,2-ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (1s)-

14. 1,2-ethanediol,1-(2-chlorophenyl)-, 2-carbamate, (1s)-

15. Comfyde

16. Rwj 333369

17. Carisbamate [usan:inn]

18. S-2-o-carbamoyl-1-o-chlorophenyl-ethanol

19. Unii-p7725i9v3z

20. [(2s)-2-(2-chlorophenyl)-2-hydroxyethyl] Carbamate

21. Carisbamate [mi]

22. Carisbamate [inn]

23. Carisbamate [who-dd]

24. Schembl729003

25. Chembl2087003

26. Dtxsid70426076

27. Chebi:135966

28. Zinc30691363

29. Db12338

30. Hy-14948

31. (s)-2-carbamoyloxy-1-o-chlorophenylethanol

32. Cs-0003652

33. D06573

34. (s)-2-o-carbamoyl-1-o-chlorophenyl-ethanol

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀ClNO₃
Molecular Weight	215.63 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	215.0349209 g/mol
Monoisotopic Mass	215.0349209 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Infantile spasms (West Syndrome), Lennox-Gastaut Syndrome, Localization-related (focal)(partial) symptomatic epilepsy and epileptic syndromes with simple partial seizures, Neonatal seizures, Other paediatric epilepsy syndromes such as Dravet Syndrome, myoclonic astatic syndrome, epilepsy with continuous sharp-waves in sleep, idiopathic partial epilepsy, absence epilepsy

5 Pharmacology and Biochemistry

5.1 ATC Code

N - Nervous system

N03 - Antiepileptics

N03A - Antiepileptics

N03AX - Other antiepileptics

N03AX19 - Carisbamate