Chemistry:Tioclomarol

Tioclomarol
Clinical data
ATC code	B01AA11 (WHO) ;
Identifiers
	IUPAC name 3-[3-(4-Chlorophenyl)-1-(5-chloro-2-thienyl)-3-hydroxypropyl]-2-hydroxy-4H-chromen-4-one;
CAS Number	22619-35-8;
PubChem CID	72147;
ChemSpider	11236578;
UNII	E5B7C16LFK;
KEGG	D07137 ;
ChEMBL	ChEMBL2105401;
Chemical and physical data
Formula	C22H16Cl2O4S
Molar mass	447.33 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c1ccc2c(c1)c(c(c(=O)o2)C(CC(c3ccc(cc3)Cl)O)c4ccc(s4)Cl)O;
	InChI InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2; Key:WRGOVNKNTPWHLZ-UHFFFAOYSA-N;
	(verify)

Short description: Chemical compound

Tioclomarol is an anticoagulant of the 4-hydroxycoumarin vitamin K antagonist type. It is a second generation drug, used as a rodenticide that is effective for the control of rodents that are resistant to this class of drugs.

References

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Original source: https://en.wikipedia.org/wiki/Tioclomarol. Read more

Clinical data

ATC code	B01AA11 (WHO)
Identifiers
IUPAC name 3-[3-(4-Chlorophenyl)-1-(5-chloro-2-thienyl)-3-hydroxypropyl]-2-hydroxy-4H-chromen-4-one
CAS Number	22619-35-8
PubChem CID	72147
ChemSpider	11236578
UNII	E5B7C16LFK
KEGG	D07137^Y
ChEMBL	ChEMBL2105401
Chemical and physical data
Formula	C₂₂H₁₆Cl₂O₄S
Molar mass	447.33 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c1ccc2c(c1)c(c(c(=O)o2)C(CC(c3ccc(cc3)Cl)O)c4ccc(s4)Cl)O
InChI InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2 Key:WRGOVNKNTPWHLZ-UHFFFAOYSA-N
(verify)