喹硫平 | 111974-69-7
中文名称:
喹硫平
英文名称:
Quetiapine
CAS No.:
111974-69-7
分子式:
C2 1 H2 5 N3 O2 S
分子量:
383.51
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:喹硫平结构式
简介
奎硫平,是一种神经系统药物,用于治疗精神分裂症。
名称和标识符
MDL
MFCD00866699
InChIKey
URKOMYMAXPYINW-UHFFFAOYSA-N
Inchi
1S/C21H25N3O2S/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/h1-8,25H,9-16H2
SMILES
OCCOCCN(CC1)CCN1C2=NC3=CC=CC=C3SC4=C2C=CC=C4
别名信息
- 中文别名 -
喹硫平
11-[4-[2-(2-羟基乙氧基)乙基]-1-哌嗪基]二苯并[b,f][1,4]硫氮杂卓
庚酸乙酯
喹硫平富马酸盐
喹硫平杂质
- 英文别名 -
QUETIAPINE-D4 FUMARATE
QUETIAPIN
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-ethanol
Quetiapine
11-[4-[2-(2-Hydroxyethoxy)ethyl]piperazino]dibenzo[b,f][1,4]thiazepine
2-[2-[4-[Dibenzo[b,f][1,4]thiazepin-11-yl]piperazin-1-yl]ethoxy]ethanol
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
[14C]-Quetiapine
11-(4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl)-dibenzo[b,f][1,4]thiazepine
2-(2-(4-dibenzo[b,f][1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
Co-Quetiapine
quetiapina
Quetiapine [INN:BAN]
quetiapinum
Seroquel
UNII-BGL0JSY5SI
uetiapine
Ketipinor
Dibenzo[b,f][1,4]thiazepine, ethanol deriv.
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
CAS-111974-69-7
CAS-111974-69-7
CAS-111974-69-7
MFCD00866699
MFCD00866699
MFCD00866699
Pharmakon1600-01505187
Pharmakon1600-01505187
Pharmakon1600-01505187
CHEMBL716
CHEMBL716
CHEMBL716
SMR000550491
SMR000550491
SMR000550491
Tox21_111537
Tox21_111537
Quetiapine-d4Hemifumarate
Tox21_111537
Quetiapine-d4Hemifumarate
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
Quetiapine-d4Hemifumarate
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
MRF-0000010
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
MRF-0000010
Norsic
MRF-0000010
Norsic
DTXCID903546
Norsic
DTXCID903546
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol
DTXCID903546
MLS001195658
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol
MLS001195658
FK949E
MLS001195658
FK949E
BIDD:GT0279
FK949E
BIDD:GT0279
GTPL50
BIDD:GT0279
GTPL50
BDBM50095890
GTPL50
BDBM50095890
CCG-213347
BDBM50095890
CCG-213347
AB00640033-10
CCG-213347
AB00640033-10
HMS3886C22
HMS3886C22
AB00640033-10
ZM-204636
ZM-204636
HMS3886C22
SPECTRUM1505187
SPECTRUM1505187
ZM-204636
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
SPECTRUM1505187
SR-01000759335-7
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
SR-01000759335-7
NSC758918
SR-01000759335-7
NSC758918
BGL0JSY5SI
NSC758918
BGL0JSY5SI
NSC 758918
BGL0JSY5SI
SBI-0206776.P001
NSC 758918
NSC 758918
NCGC00095911-01
SBI-0206776.P001
SBI-0206776.P001
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
NCGC00095911-01
NCGC00095911-01
Quetiapine (INN)
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
HMS3372B05
Quetiapine (INN)
Quetiapine (INN)
N05AH04
HMS3372B05
HMS3372B05
BRD-K68867920-001-05-2
N05AH04
N05AH04
Q408535
BRD-K68867920-001-05-2
BRD-K68867920-001-05-2
Q408535
Q408535
InChI=1/C21H25N3O2S/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/h1-8,25H,9-16H2
InChI=1/C21H25N3O2S/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/h1-8,25H,9-16H2
InChI=1/C21H25N3O2S/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/h1-8,25H,9-16H2
NSC-758918
NSC-758918
HY-14544
NSC-758918
HY-14544
HY-14544
2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
ICI204636
2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
ICI204636
ICI204636
HMS2231O11
HMS2231O11
Quetiapin
HMS2231O11
Quetiapin
AB00640033-09
Quetiapin
AB00640033-09
Seroquel (Fumarate)
AB00640033-09
Seroquel (Fumarate)
SR-01000759335-5
SR-01000759335-5
Seroquel (Fumarate)
SR-01000759335-5
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
DTXSID9023546
DTXSID9023546
DTXSID9023546
(E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
(E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
(E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
QUETIAPINE [VANDF]
QUETIAPINE [VANDF]
QUETIAPINE [VANDF]
NCGC00095911-03
NCGC00095911-03
NCGC00095911-03
NSC801189
NSC801189
NSC801189
QUETIAPINE [WHO-DD]
QUETIAPINE [WHO-DD]
QUETIAPINE [WHO-DD]
EN300-708802
EN300-708802
EN300-708802
2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
AB00640033_11
AB00640033_11
AB00640033_11
QUETIAPINE [MI]
QUETIAPINE [MI]
QUETIAPINE [MI]
HSDB 7557
HSDB 7557
HSDB 7557
NCGC00095911-04
NCGC00095911-04
NCGC00095911-04
Quetiapine extended release
Quetiapine extended release
Quetiapine extended release
NSC-801189
NSC-801189
NSC-801189
Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
D08456
D08456
D08456
s5741
s5741
s5741
MLS001165710
MLS001165710
MLS001165710
QUETIAPINE [HSDB]
QUETIAPINE [HSDB]
QUETIAPINE [HSDB]
quetiapine
quetiapine
quetiapine
11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine
11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine
11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine
QUETIAPINE [INN]
QUETIAPINE [INN]
QUETIAPINE [INN]
2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
CHEBI:8707
CHEBI:8707
CHEBI:8707
A802457
A802457
A802457
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YLPIPERAZIN-1-YL)ETHOXY)ETHANOL
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YLPIPERAZIN-1-YL)ETHOXY)ETHANOL
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YLPIPERAZIN-1-YL)ETHOXY)ETHANOL
111974-69-7
111974-69-7
111974-69-7
AS-35258
AS-35258
AS-35258
BCP23508
BCP23508
BCP23508
NS00010395
NS00010395
NS00010395
ICI 204636
ICI 204636
ICI 204636
AB00640033_12
AB00640033_12
AB00640033_12
SR-01000759335
SR-01000759335
SR-01000759335
FT-0658790
FT-0658790
FT-0658790
L001200
L001200
L001200
CS-1171
CS-1171
CS-1171
HMS2093K06
HMS2093K06
HMS2093K06
Quetiapine fumarate
Quetiapine fumarate
Quetiapine fumarate
Norsic (TN)
Norsic (TN)
Norsic (TN)
DB01224
DB01224
DB01224
C07397
C07397
C07397
HMS3744E21
HMS3744E21
HMS3744E21
Tox21_111537_1
Tox21_111537_1
Tox21_111537_1
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
SCHEMBL7932
SCHEMBL7932
SCHEMBL7932
NCGC00095911-06
NCGC00095911-06
NCGC00095911-06
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
AKOS003588973
AKOS003588973
AKOS003588973
URKOMYMAXPYINW-UHFFFAOYSA-
URKOMYMAXPYINW-UHFFFAOYSA-
URKOMYMAXPYINW-UHFFFAOYSA-
物化性质
实验特性
LogP
2.16740
PSA
73.60000
沸点
556.5ºC at 760 mmHg
熔点
172 - 174ºC
闪点
290.4ºC
颜色与性状
Powder
密度
1.27 g/cm3
计算特性
精确分子量
383.16700
氢键供体数量
1
氢键受体数量
5
可旋转化学键数量
6
同位素质量
383.167
重原子数量
27
复杂度
496
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
2.1
拓扑分子极性表面积
73.6A^2
海关数据
海关编码
2934999090
海关数据
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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