SULFISOXAZOLE ACETYL


Trade Names	GANTRISIN GANTRISIN PEDIATRIC LIPO GANTRISIN
Synonyms	Acetyl sulfafurazole Acetyl sulfisoxazole Acetylsulfafurazole Acetylsulfisoxazole Gantrisin Gantrisin pediatric Lipo gantrisin NSC-759138 Sulfafurazole acetyl Sulfisoxazole acetyl Sulfisoxizole acetyl
Status
Molecule Category	Free-form
UNII	WBT5QH3KED
EPA CompTox	DTXSID4023620


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	JFNWFXVFBDDWCX-UHFFFAOYSA-N
Smiles	CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
InChI	InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C13H15N3O4S
Molecular Weight	309.35
AlogP	1.62
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	106.5
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Pharmacology

Mechanism of Action	Action	Reference
Bacterial dihydropteroate synthase inhibitor	INHIBITOR	PubMed PubMed PubMed

Cross References

Resources	Reference
ChEBI	135975
ChEMBL	CHEMBL1200910
DrugBank	DB14033
DrugCentral	4458
FDA SRS	WBT5QH3KED
PubChem	6662
SureChEMBL	SCHEMBL41727
ZINC	ZINC000000002114

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).