Details of the Drug

General Information of Drug (ID: DMJL10P)

Drug Name

Isoxyl

Synonyms

Tiocarlide; Thiocarlide; Tiocarlid; 910-86-1; Disocarban; Datanil; Tiocarlidum [INN-Latin]; Tiocarlida [INN-Spanish]; 4,4'-Diisoamyloxythiocarbanilide; 4,4'-Bis(isopentyloxy)thiocarbanilide; Tiocarlide [INN:BAN:DCF]; UNII-43M23X81Y2; C23H32N2O2S; N,N'-Bis(4-(3-methylbutoxy)phenyl)thiourea; EINECS 213-006-5; CARBANILIDE, 4,4'-BIS(ISOPENTYLOXY)THIO-; BRN 2546347; Thiourea, N,N'-bis[4-(3-methylbutoxy)phenyl]-; Thiourea, N,N'-bis(4-(3-methylbutoxy)phenyl)-; NSC742400; 43M23X81Y2; Amixyl; Disoxyl; Tiocarlida; Tiocarlidum; BRN2546347; Tiocarlide (INN); Tiocarlide [INN:DCF]; Thiourea, N,N'-bis(4-(3-methylbutoxy)phenyl)-(9CI)

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]

ATC Code

J04AD02: Isoxyl

J04AD: Thiocarbamide derivatives

J04A: DRUGS FOR TREATMENT OF TUBERCULOSIS

J04: ANTIMYCOBACTERIALS

J: ANTIINFECTIVES FOR SYSTEMIC USE

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

400.6

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C23H32N2O2S
IUPAC Name: 1,3-bis[4-(3-methylbutoxy)phenyl]thiourea
Canonical SMILES: CC(C)CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C
InChI: InChI=1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
InChIKey: BWBONKHPVHMQHE-UHFFFAOYSA-N