Details of the Drug

General Information of Drug (ID: DM5JHUN)

Drug Name

CHROMOTROPATE

Synonyms

129-96-4; Chromotropic acid disodium salt; Sodium chromotropate; 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, disodium salt; Disodium chromotropate; Sodium 4,5-dihydroxynaphthalene-2,7-disulfonate; disodium 4,5-dihydroxynaphthalene-2,7-disulfonate; Disodium 4,5-dihydroxynaphthalene-2,7-disulphonate; Mordant Brown 7; Chromotropic acid sodium salt; 3888-44-6; 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, sodium salt (1:2); CHEMBL425511; 148-25-4 (Parent); CHROMOTROPATE; mordantbrown; Chromogen C; NSC 4883; EINECS 204-972-

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

364.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

8

Chemical Identifiers

Formula: C10H6Na2O8S2
IUPAC Name: disodium;4,5-dihydroxynaphthalene-2,7-disulfonate
Canonical SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])O)O)S(=O)(=O)[O-].[Na+].[Na+]
InChI: InChI=1S/C10H8O8S2.2Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKey: AFGPCIMUGMJQPD-UHFFFAOYSA-L