AG003UXG

18683-91-5 | (1r,4r)-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol

AG003UXG

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CAS Number	18683-91-5
Catalog Number	AG003UXG(AGN-PC-0O5LAC)
Chemical Name	(1r,4r)-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol
EC Number	242-500-3
IUPAC Name	4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
InChI	InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
InChI Key	JBDGDEWWOUBZPM-UHFFFAOYSA-N
MDL Number	MFCD00242702
Molecular Formula	C13H18Br2N2O
Molecular Weight	378.1028
SMILES	O[C@H]1CC[C@H](NCC2=CC(Br)=CC(Br)=C2N)CC1
UNII	200168S0CL
Synonyms	4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexanol, Abrohexal, AM, Bisolvon, Ambril, Ambro Puren, Ambro-Puren, Ambrobeta, Ambrofur, Ambrohexal, Ambrolös, Ambrolitic, AMBROPP, AmbroPuren, Ambroten, Ambroxin, Ambroxocompren, Ambroxol, Bisolvon AM, Bromhexine Metabolite VIII, Bronchopront, Bronchowern, Broxol, Contac Husten Trunk, Contac Husten-Trunk, Contac HustenTrunk, Dinobroxol, Duramucal, Ebromin, Expeflen, Expit, Farmabroxol, Flavamed, Frenopect, Gelopol, Hustenlöser, Pect, Hustenlöser, Therapin, Larylin Husten Löser, Larylin Husten-Löser, Larylin HustenLöser, Lasolvan, Metabolite VIII, Bromhexine, Mibrox, Motosol, Muco Fips, Muco-Fips, MucoFips, Mucosolvan, Mucotablin, NA 872, NA-872, NA872, Pädiamuc, Pect Hustenlöser, Pulmonal S, Pulmonal, Ringelheimer, Ringelheimer Pulmonal, Sekretovit, stas Hustenlöser, stas-Hustenlöser, stasHustenlöser, Surbronc, Therapin Hustenlöser, ambroxol, 18683-91-5, 107814-37-9, Ambroxolum, Ambroxol Base, NA-872, Bisolvon metabolite VIII, 4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanol, 36557-04-7, Bromhexine-metabolite VIII, 4-((2-amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol, Ambroxol [INN:BAN], Ambroxolum [INN-Latin], rac-cis-Ambroxol, Bromhexine Metabolite VIII, cis-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol, trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol, C13H18Br2N2O, UNII-200168S0CL, EINECS 242-500-3, Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, trans-, trans-4-((2-Amino-3,5-dibromobencil)amino)ciclohexanol, trans-4-((2-Amino-3,5-dibromobenzyl)amine)cyclohexanol, Cyclohexanol, 4-((2-amino-3,5-dibromobenzyl)amino)- (E)-, N-(2-Amino-3,4-dibromocyclohexyl)-trans-4-aminocyclohexanol, N-(trans-4-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)-amine, N-(trans-p-Hydroxycyclohexyl)-(2-amino-3,5-dibromobenzyl)amine, JBDGDEWWOUBZPM-UHFFFAOYSA-N, 200168S0CL, trans-4-[(2-amino-3,5-dibromobenzyl)amino]cyclohexanol, N-(2-Amino-3,4-dibromociclohexil)-trans-4-aminociclohexanol, N-(trans-4-Hidroxiciclohexil)-(2-amino-3,5-dibromobencil)amina, trans-4-((2-Amino-3,5-dibromobencil)amino)ciclohexanol [Spanish], Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, trans-, N-(2-Amino-3,4-dibromociclohexil)-trans-4-aminociclohexanol [Spanish], N-(trans-4-Hidroxiciclohexil)-(2-amino-3,5-dibromobencil)amina [Spanish], 15942-05-9, 4-[(2-amino-3,5-dibromo-phenyl)methylamino]cyclohexanol, Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, Ambroxol EP Impurity D, Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, cis-, Ambroxol Hydrochloride Impurity D, MFCD00078932, NCGC00016781-04, CAS-23828-92-4, Amboxol, SR-05000001463, Ambroxol (INN), Tabcin (TN), Spectrum_001346, AC1L1CZO, Prestwick0_000366, Prestwick1_000366, Prestwick2_000366, Prestwick3_000366, Spectrum2_001518, Spectrum3_000955, Spectrum4_001068, Spectrum5_001021, EC 242-500-3, AC1Q25NE, Oprea1_766685, SCHEMBL18702, BSPBio_000491, KBioGR_001396, KBioSS_001826, MLS001306470, DivK1c_000027, SCHEMBL423712, SPBio_001595, SPBio_002412, BPBio1_000541, CHEMBL153479, SCHEMBL7855003, CHEMBL1477775, DTXSID8022583, BCBcMAP01_000092, CHEBI:92994, CTK1B6251, KBio1_000027, KBio2_001826, KBio2_004394, KBio2_006962, KBio3_002050, 4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexanol, CHEBI:135590, JBDGDEWWOUBZPM-XYPYZODXSA-N, NINDS_000027, HMS2089D06, HMS2231B19, HMS3373J22, ZINC587613, ALBB-022461, BCP04489, HY-B1039, BBL009896, BDBM50395322, MFCD02093079, MFCD28143339, STK711075, AKOS005530704, AKOS015889660, AKOS027338704, ZINC100001905, ZINC100070274, AC-8362, ACN-026570, AN-8090, BCP9000283, CCG-207907, CS-4558, DB06742, MCULE-9463281275, SB17463, VA10248, IDI1_000027, SMP1_000014, NCGC00016781-01, NCGC00016781-02, NCGC00016781-08, NCGC00159399-02, NCGC00371077-02, AJ-23628, LS-57030, SMR000718792, BCP0726000066, SBI-0051766.P002, AB0035941, AB00514663, FT-0622261, FT-0630430, FT-0661549, R5537, ST51014904, Y0395, D07442, 4-(2-amino-3,5-dibromobenzylamino)cyclohexanol, AB00053639_13, AB01275465-01, 683A915, I01-2656, SR-05000001463-1, BRD-K11223672-003-03-7, BRD-K11223672-003-04-5, BRD-K56558538-003-02-8, 4-[(2-amino-3,5-dibromophenyl)methylamino-]cyclohexanol, 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexanol, (1s,4s)-4-((2-amino-3,5-dibromobenzyl)amino)cyclohexanol, 4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanol, trans-, 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol, 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol, cis-4-[[(2-Amino-3,5-dibromophenyl)methyl]amino]cyclohexanol, Cyclohexanol, 4-((2-amino-3,5-dibromobenzyl)amino)-, trans-, trans-4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexanol, Cyclohexanol, 4-[[(2-amino-3,5-dibromo-phenyl)methyl]amino]-, trans, Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, trans- (9CI), Ambroxol HCl, Lasolvan, ambroxils, Ambroxocompren, stasHustenloser, Ambrohexal, Ambrolitic, Bronchopront, Bronchowern, Dinobroxol, Farmabroxol, Mucosolvan, Mucotablin, Sekretovit, Abrohexal, Ambrobeta, Ambrofur, Ambrolos, Ambroten, Ambroxin, Duramucal, Expeflen, Flavamed, Frenopect, Padiamuc, Surbronc, Ebromin, Gelopol, Motosol, Ambril, Broxol, Mibrox, AmbroPuren, Expit, MucoFips, stas Hustenloser, stas-Hustenloser, Ambro Puren, Ambro-Puren, Pect Hustenloser, Ambroxol hydrochloride, Pulmonal S, Bisolvon AM, Muco Fips, Muco-Fips, AM, Bisolvon, Hustenloser, Pect, Contac HustenTrunk, Ambroxol [INN], Larylin HustenLoser, Therapin Hustenloser, Contac Husten Trunk, Contac Husten-Trunk, Ringelheimer Pulmonal, AMBROPP, Larylin Husten Loser, Larylin Husten-Loser, Hustenloser, Therapin, Pulmonal, Ringelheimer, D03DSR, Metabolite VIII, Bromhexine, CID2132, NA872, C13-H18-Br2-N2-O, AR-1F9025, NA 872, CS-O-00820, CS-O-07155, D000551, 2-Amino-3,5-dibromo-N-(trans-4-hydroxycyclohexyl)benzylamine, Cis-4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanol Hydrochloride, 23828-92-4, Cyclohexanol, 4-[(2-amino-3,5-dibromobenzyl)amino]-, trans-, trans-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]cyclohexanol, Ciclohexanol, 4-[[(2-amino-3,5-dibromofenil) metil] amino]-, trans-, 19071-54-6,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.977g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	378.108g/mol
Monoisotopic Mass	375.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number