HYDROXYSTILBAMIDINE ISETHIONATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1953)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0163PVD2QZ

Structure
InChI Key HPLUMRXCPMTSQW-DYVSEJHDSA-N
Smile N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO
InChI
InChI=1S/C16H16N4O.C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);3H,1-2H2,(H,4,5,6)/b4-1+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N4O9S2
Molecular Weight 532.6
AlogP 2.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 119.97
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2023895
FDA SRS 0163PVD2QZ
PubChem 10779
SureChEMBL SCHEMBL554644
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