ITI-333

ITI-333
Identifiers
	IUPAC name (6bR,10aS)-8-[3-(4-fluorophenoxy)propyl]-6b,7,8,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one;
PubChem CID	130277831;
Chemical and physical data
Formula	C22H24FN3O
Molar mass	365.452 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1CN(C[C@@H]2[C@H]1N3CC(=O)NC4=CC=CC2=C43)CCCOC5=CC=C(C=C5)F;
	InChI InChI=1S/C22H24FN3O2/c23-15-5-7-16(8-6-15)28-12-2-10-25-11-9-20-18(13-25)17-3-1-4-19-22(17)26(20)14-21(27)24-19/h1,3-8,18,20H,2,9-14H2,(H,24,27)/t18-,20-/m0/s1; Key:MXIJXDUPULMKIE-ICSRJNTNSA-N;

ITI-333 is a drug which has a mixed mechanism of action, acting as an antagonist at the 5-HT_2A, D₁ and α1A receptors, and also as a partial agonist at the μ-opioid receptor. In animal studies it blocked the head-twitch response produced by DOI and also reduced responses to morphine, while also reducing the symptoms produced by naloxone-precipitated withdrawal in opioid habituated mice. It has been developed for potential uses in treatment of opioid withdrawal and opioid use disorder.^[1]^[2]

References

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Identifiers

IUPAC name (6bR,10aS)-8-[3-(4-fluorophenoxy)propyl]-6b,7,8,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one
PubChem CID	130277831
Chemical and physical data
Formula	C₂₂H₂₄FN₃O
Molar mass	365.452 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1CN(C[C@@H]2[C@H]1N3CC(=O)NC4=CC=CC2=C43)CCCOC5=CC=C(C=C5)F
InChI InChI=1S/C22H24FN3O2/c23-15-5-7-16(8-6-15)28-12-2-10-25-11-9-20-18(13-25)17-3-1-4-19-22(17)26(20)14-21(27)24-19/h1,3-8,18,20H,2,9-14H2,(H,24,27)/t18-,20-/m0/s1 Key:MXIJXDUPULMKIE-ICSRJNTNSA-N