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2D Structure
Also known as: Jbpos0101, D7nm51c3gu, 1-(2-chlorophenyl)-1-(s)-hydroxy-2-(s)-carbamoyloxy-propane, 1353949-71-9, Unii-d7nm51c3gu, Schembl3437156
Molecular Formula
C10H12ClNO3
Molecular Weight
229.66  g/mol
InChI Key
TZOWVYPYWJLZTK-IMTBSYHQSA-N
FDA UNII
D7NM51C3GU

JBPOS0101 is under investigation in clinical trial NCT03976076 (A Study of Orally Administered JBPOS0101 in Refractory Infantile Spasms Patients).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl] carbamate
2.1.2 InChI
InChI=1S/C10H12ClNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1
2.1.3 InChI Key
TZOWVYPYWJLZTK-IMTBSYHQSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1Cl)O)OC(=O)N
2.1.5 Isomeric SMILES
C[C@@H]([C@H](C1=CC=CC=C1Cl)O)OC(=O)N
2.2 Other Identifiers
2.2.1 UNII
D7NM51C3GU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Jbpos0101

2. D7nm51c3gu

3. 1-(2-chlorophenyl)-1-(s)-hydroxy-2-(s)-carbamoyloxy-propane

4. 1353949-71-9

5. Unii-d7nm51c3gu

6. Schembl3437156

7. Chembl4594413

8. 1,2-propanediol, 1-(2-chlorophenyl)-, 2-carbamate, (1s,2s)-

2.4 Create Date
2012-08-13
3 Chemical and Physical Properties
Molecular Weight 229.66 g/mol
Molecular Formula C10H12ClNO3
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass229.0505709 g/mol
Monoisotopic Mass229.0505709 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1