![Quetiapine N-oxide[喹硫平N-氧化物]](https://newcny.com/wp-content/uploads/2024/07/1076199-40-0.svg)
CAS Registry Number®
1076199-40-0
CAS Name
Quetiapine N-oxide
Molecular Formula
C21H25N3O3S
Molecular Mass
399.51
Other Names and Identifiers
InChI
InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-24(26)11-9-23(10-12-24)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey
InChIKey=VVBXDYFGQNNTDS-UHFFFAOYSA-N
SMILES
C(COCCO)N1(=O)CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1
Canonical SMILES
O=N1(CCOCCO)CCN(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-oxido-1-piperazinyl)ethoxy]-
- 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]ethanol
- Quetiapine N-oxide
