AG000G8X

1156-19-0 | Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-

AG000G8X

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CAS Number	1156-19-0
Catalog Number	AG000G8X(AGN-PC-0P7W86)
Chemical Name	Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-
EC Number	214-588-3
IUPAC Name	1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea
InChI	InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChI Key	OUDSBRTVNLOZBN-UHFFFAOYSA-N
MDL Number	MFCD00083504
Molecular Formula	C14H21N3O3S
Molecular Weight	311.3998
SMILES	N1(CCCCCC1)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
UNII	9LT1BRO48Q
Synonyms	Tolazamide, Tolinase, tolazamide, Tolinase, 1156-19-0, Norglycin, Tolanase, Diabewas, Tolazolamide, Tolazamida, Tolazamidum, 1-(Hexahydro-1-azepinyl)-3-p-tolylsulfonylurea, N-(p-Toluenesulfonyl)-N'-hexamethyleniminourea, 4-(p-Tolylsulfonyl)-1,1-hexamethylenesemicarbazide, NCI-C03327, 1-(Hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea, U-17835, Tolazamidum [INN-Latin], Tolazamida [INN-Spanish], U 17835, CCRIS 591, NSC-70762, UNII-9LT1BRO48Q, Urea, 1-(hexahydroazepin-1-yl)-3-p-tolylsulfonyl-, EINECS 214-588-3, Urea, 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)-, BRN 1323565, HSDB 3192, NSC 70762, 9LT1BRO48Q, Benzenesulfonamide, N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-, AI3-50826, MLS000028534, CHEBI:9613, C14H21N3O3S, 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylurea, N-(((Hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methylbenzenesulfonamide, NSC70762, N-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide, Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-methyl-, 1-(Hexahydro-1H-azepin-1-yl)-3-(p-toluenesulfonyl)urea, N-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide, NCGC00016009-10, SMR000058290, CAS-1156-19-0, DSSTox_CID_1358, Benzenesulfonamide, N-(((hexahydro-1H-azepin-1-yl)-amino)carbonyl)-4-methyl-, DSSTox_RID_76105, DSSTox_GSID_21358, 1-(azepan-1-yl)-3-(4-methylbenzenesulfonyl)urea, W-109110, Tolamide, N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-methylbenzenesulfonamide, N-[[(Hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methylbenzenesulfonamide, Tolinase (TN), Tolazamide [USAN:INN:BAN:JAN], SR-01000003105, Tolazamid, Ronase, (azaperhydroepinylamino)-N-[(4-methylphenyl)sulfonyl]carboxamide, N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide, Prestwick_865, Tolazamide [USAN:USP:INN:BAN:JAN], Spectrum_001269, AC1L1KHJ, Opera_ID_1740, Prestwick0_000554, Prestwick1_000554, Prestwick2_000554, Prestwick3_000554, Spectrum2_001449, Spectrum3_001473, Spectrum4_000240, Spectrum5_001204, Lopac-T-2408, CHEMBL817, T 2408, 3-azepan-1-yl-1-(4-methylphenyl)sulfonyl-urea, NCIOpen2_008361, CBiol_001918, Lopac0_001195, Oprea1_061180, SCHEMBL34417, BSPBio_000627, BSPBio_001505, BSPBio_003025, KBioGR_000225, KBioGR_000939, KBioSS_000225, KBioSS_001749, 5-20-04-00062 (Beilstein Handbook Reference), MLS001076161, DivK1c_000212, SPECTRUM1501201, SPBio_001317, SPBio_002548, BPBio1_000691, GTPL6847, Tolazamide (JP17/USP/INN), WLN: T7NTJ AMVMSWR D1, DTXSID3021358, BCBcMAP01_000061, HMS500K14, KBio1_000212, KBio2_000225, KBio2_001749, KBio2_002793, KBio2_004317, KBio2_005361, KBio2_006885, KBio3_000449, KBio3_000450, KBio3_002525, Tolazamide pound>>NSC 70762, ZINC57512, NINDS_000212, OUDSBRTVNLOZBN-UHFFFAOYSA-N, 1-(((((4-Methylphenyl)sulfonyl)amino)carbonyl)amino)azepane, Bio1_000204, Bio1_000693, Bio1_001182, Bio2_000225, Bio2_000705, HMS1361L07, HMS1569P09, HMS1791L07, HMS1921P19, HMS1989L07, HMS2089L10, HMS2092L09, HMS2096P09, HMS2232L21, HMS3259O18, HMS3263P11, HMS3369L04, HMS3402L07, HMS3713P09, Pharmakon1600-01501201, BCP23550, HY-B0920, Tox21_110281, Tox21_201507, Tox21_300416, Tox21_501195, 2761AH, CCG-39178, GP6227, LS-578, MFCD00083504, NSC758149, SBB058190, AKOS015913823, Tox21_110281_1, ACN-053046, API0004439, DB00839, KS-1438, LP01195, MCULE-9265102499, NC00590, NSC-758149, Benzenesulfonamide, {N-[[(hexahydro-1H-azepin-1-yl)amino]carbonyl]-4-methyl-}, IDI1_000212, IDI1_033975, NCGC00016009-01, NCGC00016009-02, NCGC00016009-03, NCGC00016009-04, NCGC00016009-05, NCGC00016009-06, NCGC00016009-07, NCGC00016009-08, NCGC00016009-09, NCGC00016009-11, NCGC00016009-12, NCGC00016009-13, NCGC00016009-14, NCGC00016009-15, NCGC00016009-16, NCGC00016009-17, NCGC00016009-19, NCGC00023701-03, NCGC00023701-04, NCGC00023701-05, NCGC00023701-06, NCGC00023701-07, NCGC00023701-08, NCGC00023701-09, NCGC00023701-10, NCGC00254501-01, NCGC00259058-01, NCGC00261880-01, AK546472, CPD000058290, SAM002564236, 1-(azepan-1-yl)-3-(p-tolylsulfonyl)urea, SBI-0051162.P003, AB00052247, EU-0101195, FT-0675268, ST51015133, SW196991-3, D00379, AB00052247-15, AB00052247_16, AB00052247_17, C-55259, 1-(azepan-1-yl)-3-[(4-methylbenzene)sulfonyl]urea, SR-01000003105-2, SR-01000003105-4, SR-01000003105-5, SR-01000003105-8, BRD-K32164935-001-06-8, BRD-K32164935-001-17-5, BRD-K32164935-001-28-2, I14-44488, F2173-1137, 1-[(([(4-Methylphenyl)sulfonyl]amino)carbonyl)amino]azepane #, Tolazamide, United States Pharmacopeia (USP) Reference Standard, Benzenesulfonamide, N-[[(hexahydro-1-azepinyl)amino]carbonyl]-4-methyl-, Semicarbazide, D09FJB, Pharmacia Brand of Tolazamide, Tolazamide (JP15/USP/INN), CID5503, Tolazamide [USAN:BAN:INN:JAN], C14-H21-N3-O3-S, CS-4389, 4-(p-Tolylsulfonyl)-1,1-hexamethylene, 59866P, D014042, BENZENESULFONAMIDE, N-[[(HEXAHYDRO-1H-AZEPIN-1YL)AMINO]-CARBONYL]-4-METHYL-,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.13g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	311.4g/mol
Monoisotopic Mass	311.13g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number