GUAIACOLSULFONATE

Guaiacolsulfonate
Clinical data
MedlinePlus	a606008
Pregnancy; category	IV, V, VI, VII, VIII -->;
ATC code	R05CA09 ( WHO) ;
Identifiers
	IUPAC name 4-hydroxy-3-methoxy-benzenesulfonic acid;
CAS Number	50855-43-1 ;
PubChem CID	4874;
ChemSpider	4708 ;
UNII	713AJ00NPG;
CompTox Dashboard ( EPA)	DTXSID80991669 ;
ECHA InfoCard	100.027.668
Chemical and physical data
Formula	C7H8O5S
Molar mass	204.20 g·mol−1
3D model ( JSmol)	Interactive image;
	SMILES COc1cc(S(=O)(=O)O)ccc1O;
	InChI InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11) ; Key:PSWOVMUIOCKEJX-UHFFFAOYSA-M ;
	(verify)

Guaiacolsulfonate (also called sulfoguaiacolum) is an aromatic sulfonic acid used in medicine as an expectorant.^[1]

References

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Clinical data


MedlinePlus	a606008
Pregnancy category	IV, V, VI, VII, VIII -->
ATC code	R05CA09 ( WHO)
Identifiers
IUPAC name 4-hydroxy-3-methoxy-benzenesulfonic acid
CAS Number	50855-43-1^Y
PubChem CID	4874
ChemSpider	4708^Y
UNII	713AJ00NPG
CompTox Dashboard ( EPA)	DTXSID80991669
ECHA InfoCard	100.027.668
Chemical and physical data
Formula	C₇H₈O₅S
Molar mass	204.20 g·mol⁻¹
3D model ( JSmol)	Interactive image
SMILES COc1cc(S(=O)(=O)O)ccc1O
InChI InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)^Y Key:PSWOVMUIOCKEJX-UHFFFAOYSA-M^Y
(verify)