Details of the Drug

General Information of Drug (ID: DMYTUNE)

Drug Name

5-AMINO-NAPHTALENE-2-MONOSULFONATE

Synonyms

119-79-9; 5-Amino-2-naphthalenesulfonic acid; 5-aminonaphthalene-2-sulfonic acid; 1,6-Cleve's acid; 1-Aminonaphthalene-6-sulfonic acid; 2-Naphthalenesulfonic acid, 5-amino-; 1-NAPHTHYLAMINE-6-SULFONIC ACID; Kyselina cleve; 1-Amino-6-naphthalenesulfonic acid; 5-Aminonaphthalene-2-sulphonic acid; Cleve's acid-1,6; 5-Naphthylamine-2-sulfonic acid; 1-Amino-6-sulfonaphthalene; Cleve's beta-acid; Cleve's acid, mixed; Kyselina cleve [Czech]; Kyselina 1-naftylamin-6-sulfonova; 51548-48-2; NSC 31506; UNII-59G56TB11B; Cleve's .beta.-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)

223.25

Logarithm of the Partition Coefficient (xlogp)

-0.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H9NO3S
IUPAC Name: 5-aminonaphthalene-2-sulfonic acid
Canonical SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N
InChI: InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
InChIKey: UWPJYQYRSWYIGZ-UHFFFAOYSA-N