CAS Registry Number®
111974-72-2
CAS Name
Quetiapine fumarate
Molecular Formula
C21H25N3O2S.1/2C4H4O4
Other Names and Identifiers
InChI
InChI=1S/C21H25N3O2S.C4H4O4/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
InChIKey=VRHJBWUIWQOFLF-WLHGVMLRSA-N
SMILES
C(=C/C(O)=O)\C(O)=O.C(COCCO)N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1
Canonical SMILES
O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=NC=3C=CC=CC3SC=4C=CC=CC42)CC1
Other Names for this Substance
- Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1)
- Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (E)-2-butenedioate (2:1) (salt)
- Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1) (salt)
- Dibenzo[b,f][1,4]thiazepine, ethanol deriv.
- ICI 204636
- Seroquel
- ZM 204636
- Quetiapine fumarate
- ZD 5077
- Quetiapine hemifumarate
- Loquen
- Quitpin
- Quetros
- Kwetaplex
