AG00HC56

111406-87-2 | 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

AG00HC56

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CAS Number	111406-87-2
Catalog Number	AG00HC56(AGN-PC-07A28M)
Chemical Name	1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
EC Number	601-087-3
IUPAC Name	1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
InChI	InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChI Key	MWLSOWXNZPKENC-UHFFFAOYSA-N
MDL Number	MFCD00866097
Molecular Formula	C11H12N2O2S
Molecular Weight	236.2902
SMILES	CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1
Synonyms	A 64077, A-64077, Abbot 64077, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxyurea, zileuton, Zyflo, ZILEUTON, 111406-87-2, Zyflo, Leutrol, Zileutonum, 1-(1-(Benzo[b]thiophen-2-yl)ethyl)-1-hydroxyurea, Zyflo CR, Abbott 64077, Zileutonum [INN-Latin], A 64077, A-64077, N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea, Zyflo (TN), 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea, ABBOTT-64077, CHEMBL93, 1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea, Urea, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-, (+-)-1-(1-Benzo(b)thien-2-ylethyl)-1-hydroxyurea, 132880-11-6, C11H12N2O2S, CHEBI:10112, N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea, (+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea, MFCD00866097, (+/-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea, NCGC00159453-02, DSSTox_CID_3752, n-(1-benzo[b]thien-2-ylethyl)-n-hydroxyurea, DSSTox_RID_77185, ()-1(1-Benzo[b]thien-2-ylethyl)-1-hydroxyure, DSSTox_GSID_23752, Urea, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-, Urea,N-(1-benzo[b]thien-2-ylethyl)-N'-hydroxy-, Urea, N-(1-benzo(b)thien-2-ylethyl)-N-hydroxy-, (+-)-, Ziluton, Zyflo Filmtab, Abbot 64077, Zileuton [USAN:INN:BAN], SMR000466377, CAS-111406-87-2, Zileuton (USP/INN), SR-01000759349, CTI-02, ABT-077, Zileuton [USAN:USP:INN:BAN], PubChem14804, ACMC-20n1mn, ACMC-20n2ac, AC1L1TCB, Prestwick0_001090, ACMC-1C7JU, 1-(1-benzothiophen-2-ylethyl)-1-hydroxy-urea, SCHEMBL4209, MLS000759510, MLS001424079, MLS006011971, GTPL5297, Zileuton, >=98% (HPLC), DTXSID9023752, SCHEMBL18251470, CTK4B8213, MWLSOWXNZPKENC-UHFFFAOYSA-N, HMS2051M20, HMS2089J12, HMS2093H06, HMS2235O04, HMS3369I17, HMS3393M20, HMS3654J08, HMS3714E07, Pharmakon1600-01505906, BB_NC-02714, BCP16199, Tox21_111680, Tox21_301148, ANW-61226, BBL029070, BDBM50000541, BS0262, NSC730712, NSC759277, s1443, STL373010, AKOS000280127, AKOS016340558, Tox21_111680_1, API0004645, CCG-100901, CCG-213571, CS-1563, DB00744, KS-1195, MCULE-7670046922, NC00151, NSC-730712, NSC-759277, RL00465, RTC-070927, SB19083, MRF-0000030, NCGC00159453-03, NCGC00159453-04, NCGC00159453-05, NCGC00159453-06, NCGC00255046-01, AC-13198, AK-54597, AN-33562, BC205769, CC-35698, CPD000466377, HY-14164, SAM001246738, SC-15991, ACM1189878769, SBI-0206869.P001, AB0012645, AB2000112, AX8157141, LS-158908, TC-070927, BB 0261152, FT-0082368, FT-0601582, ST24036965, SW197531-3, D00414, J90033, K-0925, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-urea, AB00639921-06, AB00639921-08, AB00639921-09, AB00639921_10, AB00639921_11, 1-[1-(benzothiophen-2-yl)ethyl]-1-hydroxy-urea, 406Z872, C-14011, J-002574, J-525169, SR-01000759349-4, SR-01000759349-5, SR-01000759349-6, Zileuton, commercially available as 600 mg tablets, (+/-)-N-hydroxy-N-(1-benzo[b]thien-2-ylethyl)urea, BRD-A56359832-001-04-6, N-(1-BENZO(B)THIEN-2-YL-ETHYL)-N-HYDROXYUREA, Z1551429725, Zileuton, United States Pharmacopeia (USP) Reference Standard, Zileuton-d4, ZYFLO, Zileuton, UNII-V1L22WVE2S, Abbott brand of zileuton, D09JUG, V1L22WVE2S, Ici D2138, Zileuton [USAN:BAN:INN], CID60490, N-(1-BENZO -N-HYDROXYUREA, C11-H12-N2-O2-S, CS-O-11770, C063449, (+-)-N-hydroxy-N-(1-benzo[b]thien-2-ylethyl)urea, Urea, N-[(1R)-1-benzo[b]thien-2-ylethyl]-N-hydroxy-, Urea, N-[(1S)-1-benzo[b]thien-2-ylethyl]-N-hydroxy-, 1189878-76-9, 142606-21-1, 143200-94-6,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.062g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.289g/mol
Monoisotopic Mass	236.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319-H350-H360
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number