Details of the Drug

General Information of Drug (ID: DMBIRC6)

Drug Name

3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM

Synonyms

Methylene Blue cation; 3,7-bis(dimethylamino)phenothiazin-5-ium; UNII-ZMZ79891ZH; N-[7-(dimethylamino)-3H-phenothiazin-3-ylidene]-N-methylmethanaminium; ZMZ79891ZH; CHEBI:43830; azul de metileno; Methylthionine HCl; Methylthionine chloride; CHEMBL405110; NSC3089; NSC617593; NSC215213; NCGC00167496-03; NCGC00167496-01; C.I. 52015; Methylthioninium; Methylene Blue parent; AI3-52463; cid_6099; AC1Q4UZ6; AC1L1HI1; SCHEMBL109755; CHEMBL191083; DTXSID3047009; NOCAS_47009; RBTBFTRPCNLSDE-UHFFFAOYSA-N; MolPort-003-700-760

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)

284.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H18N3S+
IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium
Canonical SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2
InChI: InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
InChIKey: RBTBFTRPCNLSDE-UHFFFAOYSA-N