AG003U9X

108179-91-5 | 8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hydrobromide

AG003U9X

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CAS Number	108179-91-5
Catalog Number	AG003U9X(AGN-PC-0OY5T8)
Chemical Name	8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hydrobromide
IUPAC Name	8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide
InChI	InChI=1S/C17H18BrNO.BrH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H
InChI Key	SDQJYYGODYRPBR-UHFFFAOYSA-N
MDL Number	MFCD04039787
Molecular Formula	C17H19Br2NO
Molecular Weight	413.1469
SMILES	OC1=C(Br)C=C2CCN(C)CC(C3=CC=CC=C3)C2=C1.[H]Br
Synonyms	1H-3-benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, 1H-3-benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (S-isomer), 7-bromo-8-hydroxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol hydrobromide, SK and F 83566, SK and F-83566, SKF 83566, SKF 83566 hydrobromide, 108179-91-5, 8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol hydrobromide, SKF83566HG, CPD000449276, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-olhydrobromide, 8-BROMO-2,3,4,5-TETRAHYDRO-3-METHYL-5-PHENYL-1H-3-BENZAZEPIN-7-OL HYDROBROMIDE, C17H19Br2NO, 99295-33-7, SMR000449276, SKF83566, MLS000758232, MLS001423981, CHEMBL1489369, DTXSID6042606, SCHEMBL16241879, NOCAS_42606, EX-A2523, BN0486, MFCD04039787, AKOS024257988, CCG-100754, NC00004, TRA0072364, KS-0000010W, AK270444, SAM001247068, Z3071, SR-01000597811, J-002067, SR-01000597811-1, 8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrobromide, 8-bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrobromide, Skf 83566,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	412.981g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	413.153g/mol
Monoisotopic Mass	410.983g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number