Details of the Drug

General Information of Drug (ID: DMRE96F)

Drug Name

Benzomate

Synonyms

Benzoxamate; Acarmate; Artaban; Citrazon; Azomate; Benzoximate [BSI:ISO]; UNII-32TAI9ZK5N; 32TAI9ZK5N; NA-53M; NA-53; EINECS 249-439-1; BRN 2783319; BENZOHYDROXAMIC ACID, O-BENZOYL-3-CHLORO-2,6-DIMETHOXY-N-ETHYL-; Benzoic acid, anhydride with 3-chloro-N-ethoxy-2,6-dimethoxybenzimidic acid; AC1L1RMU; 67011-39-6; SCHEMBL9806359; HOERQTQCTISLFR-UHFFFAOYSA-N; LS-35432; C19021; N-(Benzoyloxy)-3-chloro-N-ethyl-2,6-dimethoxybenzamide; Benzoic acid anhydride with 3-chloro-N-ethoxy-2,6-dimethoxybenzenecarboximidic acid (9CI); Benzoic aci

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

363.8

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C18H18ClNO5
IUPAC Name: [(Z)-C-(3-chloro-2,6-dimethoxyphenyl)-N-ethoxycarbonimidoyl] benzoate
Canonical SMILES: CCO/N=C(/C1=C(C=CC(=C1OC)Cl)OC)\\OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17-
InChIKey: BZMIHNKNQJJVRO-JZJYNLBNSA-N