Thiorphan

Thiorphan
Clinical data
ATC code	none;
Identifiers
	IUPAC name (±)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid;
CAS Number	76721-89-6 ;
PubChem CID	3132;
DrugBank	DB08626 ;
ChemSpider	3020 ;
UNII	B79L7B5X3Z;
KEGG	C01619;
ChEMBL	ChEMBL10247 ;
CompTox Dashboard (EPA)	DTXSID70868412 ;
Chemical and physical data
Formula	C12H15NO3S
Molar mass	253.32 g·mol−1
3D model (JSmol)	Interactive image;
Chirality	Racemic mixture
	SMILES C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O;
	InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15) ; Key:LJJKNPQAGWVLDQ-UHFFFAOYSA-N ;
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Thiorphan is the active metabolite of the antidiarrheal racecadotril (acetorphan). It prevents the degradation of endogenous enkephalins by acting as an enkephalinase inhibitor.

Clinical data

ATC code	none
Identifiers
IUPAC name (±)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid
CAS Number	76721-89-6^N
PubChem CID	3132
DrugBank	DB08626^N
ChemSpider	3020^Y
UNII	B79L7B5X3Z
KEGG	C01619
ChEMBL	ChEMBL10247^Y
CompTox Dashboard (EPA)	DTXSID70868412
Chemical and physical data
Formula	C₁₂H₁₅NO₃S
Molar mass	253.32 g·mol⁻¹
3D model (JSmol)	Interactive image
Chirality	Racemic mixture
SMILES C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O
InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)^Y Key:LJJKNPQAGWVLDQ-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)