Chemical Compound

(2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)

CAS Registry Number 111974-72-2
(2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol) 结构式
Primary record

(2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)

库存
3,348 克
纯度
99.8 %
CAS
111974-72-2

化合物标识与属性

CAS
111974-72-2
PubChem CID
441261
SMILES
C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O
Canonical SMILES
O=C(O)C=CC(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

名称与同义词

  • Quetiapine fumarate
  • quetiapine
  • Seroquel
  • Seroquel XR
  • Quetiapine hemifumarate
  • UNII-2S3PL1B6UJ
  • Quetiapine fumarate [USAN]
  • SCHEMBL390694
  • 111974-72-2
  • CTK8F0668
  • KS-00000XKQ
  • C46H54N6O8S2
  • ZTHJULTYCAQOIJ-UHFFFAOYSA-N
  • HMS3651A19
  • 111974-72-2 (hemifumarate)
  • ZD5077
  • C42H50N6O4S2.C4H4O4
  • AKOS030228799
  • ICI 204636
  • ICI 204,636
  • PD056826
  • ZM 204636
  • ZM 204,636
  • D95299
  • (C21-H25-N3-O2-S)2.C4-H4-O4
  • 2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;but-2-enedioic acid
  • 2-[2-(4-Dibenzo[b, f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol hemifumarate
  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1)
  • 2-(2-(4-Dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
  • (2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)
  • 111974-69-7
  • 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol; fumarate (2:1)
  • 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioate;hydron
  • 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;(E)-but-2-enedioic acid