Benzene and substituted derivatives
Manidipine dihydrochloride
CAS: 89226-75-5 Molecular Formula: C35H40Cl2N4O6 Molecular Weight (g/mol): 683.627 MDL Number: MFCD00896434 InChI Key: JINNGBXKBDUGQT-UHFFFAOYSA-N Synonym: manidipine hydrochloride PubChem CID: 150762 IUPAC Name: 5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl
3,5-Bis(trifluoromethyl)benzeneboronic acid, 95%, Thermo Scientific Chemicals
CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
2-Bromophenylboronic acid, 97%
CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br
4-Acetamidophenylboronic acid, 97+%
CAS: 101251-09-6 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD02179451 InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N Synonym: 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl PubChem CID: 2734657 IUPAC Name: (4-acetamidophenyl)boronic acid SMILES: CC(=O)NC1=CC=C(C=C1)B(O)O
2-Bromo-5-nitroanisole, 98%
CAS: 77337-82-7 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00041250 InChI Key: NTKADLOYTKVXQN-UHFFFAOYSA-N Synonym: 2-bromo-5-nitroanisole,4-bromo-3-methoxynitrobenzene,2-bromo-5-nitroanisol,benzene, 1-bromo-2-methoxy-4-nitro,1-bromo-2-methoxy-4-nitro-benzene,zlchem 673,pubchem2536,2-bromo 5-nitro anisole,2-bromo-5-nitro-anisole,2-bromo-5-nitro anisole PubChem CID: 101293 IUPAC Name: 1-bromo-2-methoxy-4-nitrobenzene SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])Br
Benzyltrimethylammonium tribromide, 97%
CAS: 111865-47-5 Molecular Formula: C10H16Br3N Molecular Weight (g/mol): 389.95 MDL Number: MFCD00134423 InChI Key: GSDDWZVWOXMLJZ-UHFFFAOYSA-N Synonym: benzyltrimethylammonium tribromide PubChem CID: 86222689 IUPAC Name: benzyl(trimethyl)azanium;molecular bromine;hydrobromide SMILES: C[N+](C)(C)CC1=CC=CC=C1.Br.BrBr
N-BOC-p-phenylenediamine, 97%
CAS: 71026-66-9 Molecular Formula: C11H16N2O2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00043022 InChI Key: WIVYTYZCVWHWSH-UHFFFAOYSA-N PubChem CID: 688611 IUPAC Name: tert-butyl N-(4-aminophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)N
1,3-Diiodobenzene, 98%
CAS: 626-00-6 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.9 MDL Number: MFCD00041731 InChI Key: SFPQFQUXAJOWNF-UHFFFAOYSA-N Synonym: m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo PubChem CID: 12270 IUPAC Name: 1,3-diiodobenzene SMILES: C1=CC(=CC(=C1)I)I
3-Methylsulphonylaniline hydrochloride, 95%
CAS: 80213-28-1 Molecular Formula: C7H10ClNO2S Molecular Weight (g/mol): 207.67 MDL Number: MFCD00216487 InChI Key: ZMPXGSYLKFAGOV-UHFFFAOYSA-N Synonym: 3-methylsulfonyl aniline hydrochloride,3-methylsulfonylaniline hydrochloride,3-methanesulfonylaniline hydrochloride,3-methylsulphonyl aniline hydrochloride,3-methylsulphonylaniline hydrochloride,3-methylsulfonyl phenyl amine hydrochloride,3-methanesulfonyl-phenylamine hcl,3-methylsulfonyl phenyl amine hcl,3-methylsulfonyl anilinehydrochloride,3-methansulphonylaniline hydrochloride PubChem CID: 2735179 IUPAC Name: 3-methylsulfonylaniline;hydrochloride SMILES: [H+].[Cl-].CS(=O)(=O)C1=CC=CC(N)=C1
(4-Benzyl-1,4-oxazinan-2-yl)methylamine, 97%, Thermo Scientific™
CAS: 110859-47-7 Molecular Formula: C12H18N2O Molecular Weight (g/mol): 206.289 MDL Number: MFCD02682010 InChI Key: CKZVBXBEDDAEFE-UHFFFAOYSA-N Synonym: 4-benzylmorpholin-2-yl methanamine,4-benzyl-1,4-oxazinan-2-yl methylamine,4-benzyl-2-morpholinyl methanamine,4-benzylmorpholin-2-yl methylamine,2-morpholinemethanamine, 4-phenylmethyl,2-aminomethyl-4-benzylmorpholine,2-morpholinemethanamine,4-phenylmethyl,1-4-benzylmorpholin-2-yl methanamine,4-phenylmethyl-2-morpholinyl methanamine PubChem CID: 2776360 IUPAC Name: (4-benzylmorpholin-2-yl)methanamine SMILES: C1COC(CN1CC2=CC=CC=C2)CN
Glimepiride
CAS: 93479-97-1 Molecular Formula: C24H34N4O5S Molecular Weight (g/mol): 490.62 MDL Number: MFCD00878417 InChI Key: WIGIZIANZCJQQY-UHFFFAOYSA-N Synonym: glimepiride,amaryl,glimepiridum,glimepirida,amarel,glimepirid,glimepride,endial,roname,glimepiridum latin PubChem CID: 3476 IUPAC Name: 3-ethyl-4-methyl-N-{2-[4-({[(4-methylcyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O
4-Cyanobenzyl alcohol, 97%
CAS: 874-89-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00870633 InChI Key: XAASLEJRGFPHEV-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzonitrile,4-cyanobenzyl alcohol,p-cyanobenzyl alcohol,ccris 5116,benzonitrile, 4-hydroxymethyl,4-cyanobenzenemethanol,4-cyanophenyl methanol,4-hydroxymethyl-benzonitrile,4 hydroxymethyl-benzonitrile PubChem CID: 160549 IUPAC Name: 4-(hydroxymethyl)benzonitrile SMILES: OCC1=CC=C(C=C1)C#N
3-Fluoro-4-iodoaniline, 98%
CAS: 656-66-6 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD07774187 InChI Key: KUVVJHBHRIXJKI-UHFFFAOYSA-N Synonym: 3-fluoro-4-iodophenylamine,benzenamine, 3-fluoro-4-iodo,3-fluoro-4-iodo-aniline,zlchem 541,pubchem1534,4-iodo 3-fluoro aniline,acmc-1b9hq,3-fluoro-4-iodo-phenylamine,buttpark 120\07-56 PubChem CID: 15475546 IUPAC Name: 3-fluoro-4-iodoaniline SMILES: C1=CC(=C(C=C1N)F)I
Phenoxybenzamine hydrochloride
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
Benzotropine methanesulfonate
CAS: 132-17-2 Molecular Formula: C22H29NO4S Molecular Weight (g/mol): 403.54 MDL Number: MFCD00074784 InChI Key: CPFJLLXFNPCTDW-STYNFMPRSA-N Synonym: benztropine mesylate,cogentin,benztropine mesilate,benztropine methanesulfonate,unii-wmj8tl7510,benztropine methylsulfonate,benzatropine mesilate,benzatropine mesylate,benzotropine mesylate,cobrentin methanesulfonate PubChem CID: 3246155 IUPAC Name: (1R,5R)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1[C@@H]2CC[C@@H]1CC(C2)OC(C1=CC=CC=C1)C1=CC=CC=C1