DE(5-carboxamide)oxcarbazepine

C₁₄H₁₁NOCAS 21737-58-6209.25 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₁₄H₁₁NO
Molar mass: 209.25 g/mol
Exact mass: 209.0841 Da
logP: 3.17Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

21737-58-6

SMILES

C1C2=CC=CC=C2NC3=CC=CC=C3C1=O

InChIKey

VSZGCLXGCOECAY-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c16-14-9-10-5-1-3-7-12(10)15-13-8-4-2-6-11(13)14/h1-8,15H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

10-Oxo-10,11-dihydro-5H-dibenz[B,F]azepine

Work with DE(5-carboxamide)oxcarbazepine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dihydroquinolin-4(1H)-one4295-36-749 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine494-19-947 % similar 2-Anilinophenylacetic acid70172-33-746 % similar 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-846 % similar 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-946 % similar 1-Tetralone529-34-046 % similar Diclofenac sodium15307-79-645 % similar Diclofenac potassium15307-81-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Phenoxyphenylacetonitrile25562-98-5 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-6 (3-Phenoxyphenyl)acetonitrile51632-29-2 4-Benzyloxybenzonitrile52805-36-4 2-Methyl-5-phenylbenzoxazole61931-68-8 N-Methylacridone719-54-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook