Details of the Drug

General Information of Drug (ID: DMCU6XV)

Drug Name

Acid blue 25

Synonyms

Acid Blue 25; 6408-78-2; C.I. ACID BLUE 25; UNII-S2E15W6FSN; S2E15W6FSN; W-110136; CHEMBL256057; 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, sodium salt (1:1); EINECS 229-068-1; EC 229-068-1; 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-, monosodium salt; C20H13N2NaO5S; SCHEMBL790822; DTXSID2044711; CTK8F7553; Sodium 1-amino-9,10-dioxo-4-phenylaminoanthracene-2-sulphonate; MFCD00001214; Acid Blue 25, Dye content 45 %; AKOS015894441; AN-19165; Q394; I04-8965; sodium 1

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

416.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C20H13N2NaO5S
IUPAC Name: sodium;1-amino-4-anilino-9,10-dioxoanthracene-2-sulfonate
Canonical SMILES: C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C20H14N2O5S.Na/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h1-10,22H,21H2,(H,25,26,27);/q;+1/p-1
InChIKey: LIKZXCROQGHXTI-UHFFFAOYSA-M