AG003EQ0

Name: 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
Brand: Angene Chemical
SKU: AG003EQ0

111974-69-7 | 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol

Chemical structure of 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol, CAS 111974-69-7

AG003EQ0

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CAS Number	111974-69-7
Catalog Number	AG003EQ0(AGN-PC-04RQSC)
Chemical Name	2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
EC Number	601-143-7
IUPAC Name	2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
InChI	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
InChI Key	URKOMYMAXPYINW-UHFFFAOYSA-N
MDL Number	MFCD00866699
Molecular Formula	C21H25N3O2S
Molecular Weight	383.5071
NSC Number	758918
SMILES	OCCOCCN1CCN(C2=NC=3C=CC=CC3SC=4C=CC=CC42)CC1
UNII	BGL0JSY5SI
Synonyms	2-(2-(4-dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol, Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-, (E)-2-butenedioate (2:1) (salt), ICI 204,636, ICI 204636, ICI-204636, ICI204636, quetiapine, quetiapine fumarate, Seroquel, quetiapine, 111974-69-7, Seroquel, Quetiapine fumarate, Quetiapine [INN:BAN], UNII-BGL0JSY5SI, BGL0JSY5SI, CHEMBL716, 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol, Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, CHEBI:8707, C21H25N3O2S, URKOMYMAXPYINW-UHFFFAOYSA-N, 2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol, 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol, FK949E, NCGC00095911-03, Co-Quetiapine, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol, DSSTox_CID_3546, 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol, DSSTox_RID_77073, DSSTox_GSID_23546, quetiapina, quetiapinum, 2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol, Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-, (E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol, Quetiapine (INN), SMR000550491, Norsic (TN), Seroquel (Fumarate), CAS-111974-69-7, SR-01000759335, ZM-204636, Quetiapin, 2-{2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethoxy}ethanol, HSDB 7557, GTPL50, AC1L1JE6, SCHEMBL7932, MLS001165710, MLS001195658, BIDD:GT0279, SPECTRUM1505187, ETH065, DTXSID9023546, CTK8F1296, URKOMYMAXPYINW-UHFFFAOYSA-, HMS2093K06, HMS2231O11, HMS3372B05, Pharmakon1600-01505187, BCP23508, Tox21_111537, BBL029071, BDBM50095890, MFCD00866699, NSC758918, STL373578, ZINC19632628, 11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine, AKOS003588973, Tox21_111537_1, API0004010, CCG-213347, CS-1171, DB01224, NSC-758918, MRF-0000010, NCGC00095911-01, NCGC00095911-04, NCGC00095911-06, AN-12155, AN-16952, AS-35258, BC219347, HY-14544, M872, SC-19077, SBI-0206776.P001, LS-172170, RT-015180, FT-0658790, 4769-EP2272537A2, 4769-EP2272841A1, 4769-EP2275420A1, 4769-EP2298731A1, 4769-EP2301936A1, 4769-EP2308867A2, 4769-EP2308870A2, 74Q697, C07397, D08456, W-5151, AB00640033-09, AB00640033-10, AB00640033_11, AB00640033_12, L001200, I06-1980, SR-01000759335-5, SR-01000759335-7, BRD-K68867920-001-05-2, 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-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol, 2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-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, 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, Seroquel XR, Norsic, Quetiapine D4, Quetiapine hemifumarate, Ketipinor (TN), Seroquel (TN), D0F9KL, D0H7KF, UNII-2S3PL1B6UJ, Quetiapine fumarate [USAN], ICI 204,636, ZD5077, CID5002, C21-H25-N3-O2-S, ZM 204,636, CS-O-11729, ICI 204636, ICI-204636, Dibenzo[b,f][1,4]thiazepine, 11-chloro-, PD-172760, ZM 204636, 1703B, A3744, A15216, (C21-H25-N3-O2-S)2.C4-H4-O4, 111974-72-2, 2-(2-(4-Dibenzo(b,f)(1,4)thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol,

Complexity	496
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.167g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	383.51g/mol
Monoisotopic Mass	383.167g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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