AG0019YW

138977-28-3 | 2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-

AG0019YW

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CAS Number	138977-28-3
Catalog Number	AG0019YW(AGN-PC-0PNLXY)
Chemical Name	2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
IUPAC Name	N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide
InChI	InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
InChI Key	DRCMAZOSEIMCHM-UHFFFAOYSA-N
MDL Number	MFCD00153778
Molecular Formula	C19H21ClN2O2S
Molecular Weight	376.9002
SMILES	Clc1ccc(cc1)CCNC(=S)N1CCCc2c(C1)cc(O)c(c2)O
UNII	LFW48MY844
Synonyms	capsazepine, capsazepine, 138977-28-3, capsazepin, N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide, UNII-LFW48MY844, MFCD00153778, N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide, CHEMBL391997, LFW48MY844, ST50826300, CHEBI:70773, N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide, 2-[2-(4-chlorophenyl)ethylamino-thiocarbonyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine, N-(2-[4-chlorophenyl]ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide, SR-01000075437, capasazepine, N-(2-(4-chlorophenyl)ethyl)-1,3,4,5-tetrahydro-7,8-dihydroxy-2H-2-Benzazepine-2-carbothioamide, Tocris-0464, Lopac-C-191, AC1MBZ0D, Lopac0_000373, BSPBio_001550, KBioGR_000270, KBioSS_000270, MLS002153524, SCHEMBL122421, GTPL2461, BDBM20284, CTK8E8275, KBio2_000270, KBio2_002838, KBio2_005406, KBio3_000539, KBio3_000540, DTXSID20160852, DRCMAZOSEIMCHM-UHFFFAOYSA-N, Bio1_000394, Bio1_000883, Bio1_001372, Bio2_000270, Bio2_000750, HMS1361N12, HMS1791N12, HMS1989N12, HMS2230F13, HMS3261K07, HMS3266C14, HMS3372M06, HMS3402N12, HMS3650G17, HMS3675O03, NK101, BCP12782, ZINC3871859, Tox21_500373, 1660AH, BG0125, s8137, AKOS024458271, Capsazepine, >=98% (HPLC), solid, CCG-204468, CS-1572, LP00373, IDI1_034020, KS-0000180V, NCGC00015190-01, NCGC00015190-02, NCGC00015190-03, NCGC00015190-04, NCGC00015190-05, NCGC00015190-06, NCGC00015190-07, NCGC00024602-01, NCGC00024602-02, NCGC00024602-03, NCGC00024602-04, NCGC00261058-01, ACM138977283, AK326288, AN-31786, HY-15640, LS-27974, SC-97943, SMR001230854, RT-011911, C-120, C-191, EU-0100373, FT-0664232, 7,8-dihydroxy-2H-2-benzazepine-2-carbothioamide, 977C283, J-007205, SR-01000075437-1, SR-01000075437-3, SR-01000075437-7, BRD-K44849676-001-03-0, N-[2-(4-Chlorophenyl)ethyl]-1,3,4,5-tetrahydro-, 2-({[2-(4-chlorophenyl)ethyl]amino}thioxomethyl)-1H,3H,4H,5H-benzo[e]azepine-7 ,8-diol, N-(4-Chlorophenethyl)-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide, N-(4-chlorophenethyl)-7,8-dihydroxy-4,5-dihydro-1H-benzo[c]azepine-2(3H)-carbothioamide, 2H-2-Benzazepine-2-carbothioamide, N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-, 6ET, N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbothioamide., N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carbothioamide, D0G8BN, C19H21ClN2O2S, C19-H21-Cl-N2-O2-S, CID2733484, A3279, C071423, CPZ,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	376.101g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	376.899g/mol
Monoisotopic Mass	376.101g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number