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Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.
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1 – 15 of 30 results
1

Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.07
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H38N2O4·HCl
2

4-Phenylbutylamine Hydrochloride 98.0+%, TCI America™
SDP

CAS: 30684-06-1 Molecular Formula: C10H16ClN Molecular Weight (g/mol): 185.695 MDL Number: MFCD03093616 InChI Key: DGDORWAJHREUEO-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane Hydrochloride PubChem CID: 44630065 IUPAC Name: 4-phenylbutan-1-amine;hydrochloride SMILES: C1=CC=C(C=C1)CCCCN.Cl

PubChem CID 44630065
CAS 30684-06-1
Molecular Weight (g/mol) 185.695
MDL Number MFCD03093616
SMILES C1=CC=C(C=C1)CCCCN.Cl
Synonym 1-Amino-4-phenylbutane Hydrochloride
IUPAC Name 4-phenylbutan-1-amine;hydrochloride
InChI Key DGDORWAJHREUEO-UHFFFAOYSA-N
Molecular Formula C10H16ClN
3

Thermo Scientific Chemicals Citalopram hydrobromide

CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

PubChem CID 77995
CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula C20H21FN2O·HBr
4

(±)-Verapamil Hydrochloride, MP Biomedicals™

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
5

Verapamil Hydrochloride, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.07 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYNA-N IUPAC Name: hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride SMILES: [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC

CAS 152-11-4
Molecular Weight (g/mol) 491.07
SMILES [H+].[Cl-].COC1=CC=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC=C(OC)C(OC)=C2)C=C1OC
IUPAC Name hydrogen 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile chloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYNA-N
Molecular Formula C27H39ClN2O4
6

(+/-)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
7

(S)-Citalopram Oxalate 98.0+%, TCI America™
SDP

CAS: 219861-08-2 Molecular Formula: C22H23FN2O5 Molecular Weight (g/mol): 414.433 MDL Number: MFCD06407826 InChI Key: KTGRHKOEFSJQNS-BDQAORGHSA-N Synonym: escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate PubChem CID: 146571 IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

PubChem CID 146571
CAS 219861-08-2
Molecular Weight (g/mol) 414.433
MDL Number MFCD06407826
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O
Synonym escitalopram oxalate,lexapro,cipralex,s-citalopram oxalate,citalopram oxalate,unii-5u85dbw7lo,5u85dbw7lo,s-+-citalopram oxalate,s-1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile oxalate
IUPAC Name (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
InChI Key KTGRHKOEFSJQNS-BDQAORGHSA-N
Molecular Formula C22H23FN2O5
8

Verapamil Hydrochloride 98.0+%, TCI America™
SDP

CAS: 152-11-4 Molecular Formula: C27H39ClN2O4 Molecular Weight (g/mol): 491.069 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.069
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H39ClN2O4
9

Tebuconazole 98.0+%, TCI America™
SDP

CAS: 107534-96-3 Molecular Formula: C16H22ClN3O Molecular Weight (g/mol): 307.82 MDL Number: MFCD02674797 InChI Key: PXMNMQRDXWABCY-UHFFFAOYNA-N Synonym: tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8 PubChem CID: 86102 ChEBI: CHEBI:83779 IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol SMILES: CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1

PubChem CID 86102
CAS 107534-96-3
Molecular Weight (g/mol) 307.82
ChEBI CHEBI:83779
MDL Number MFCD02674797
SMILES CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
Synonym tebuconazole,folicur,fenetrazole,ethyltrianol,terbuconazole,terbutrazole,etiltrianol,elite,raxil,preventol a 8
IUPAC Name 1-(4-chlorophenyl)-4,4-dimethyl-3-[(1H-1,2,4-triazol-1-yl)methyl]pentan-3-ol
InChI Key PXMNMQRDXWABCY-UHFFFAOYNA-N
Molecular Formula C16H22ClN3O
10

4-Phenylbutylamine 98.0+%, TCI America™
SDP

CAS: 13214-66-9 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.237 MDL Number: MFCD00008231 InChI Key: AGNFWIZBEATIAK-UHFFFAOYSA-N Synonym: 1-Amino-4-phenylbutane PubChem CID: 83242 IUPAC Name: 4-phenylbutan-1-amine SMILES: C1=CC=C(C=C1)CCCCN

PubChem CID 83242
CAS 13214-66-9
Molecular Weight (g/mol) 149.237
MDL Number MFCD00008231
SMILES C1=CC=C(C=C1)CCCCN
Synonym 1-Amino-4-phenylbutane
IUPAC Name 4-phenylbutan-1-amine
InChI Key AGNFWIZBEATIAK-UHFFFAOYSA-N
Molecular Formula C10H15N
11

Mubritinib 98.0+%, TCI America™
SDP

CAS: 366017-09-6 Molecular Formula: C25H23F3N4O2 Molecular Weight (g/mol): 468.48 MDL Number: MFCD09954135 InChI Key: ZTFBIUXIQYRUNT-MDWZMJQESA-N Synonym: (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165 PubChem CID: 6444692 IUPAC Name: 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole SMILES: C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F

PubChem CID 6444692
CAS 366017-09-6
Molecular Weight (g/mol) 468.48
MDL Number MFCD09954135
SMILES C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
Synonym (E)-4-[[4-[4-(1H-1,2,3-Triazol-1-yl)butyl]phenoxy]methyl]-2-[4-(trifluoromethyl)styryl]oxazole, TAK 165
IUPAC Name 4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
InChI Key ZTFBIUXIQYRUNT-MDWZMJQESA-N
Molecular Formula C25H23F3N4O2
12

Citalopram Hydrobromide 98.0+%, TCI America™
SDP

CAS: 59729-32-7 Molecular Formula: C20H22BrFN2O Molecular Weight (g/mol): 405.311 MDL Number: MFCD02101306 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

PubChem CID 77995
CAS 59729-32-7
Molecular Weight (g/mol) 405.311
MDL Number MFCD02101306
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula C20H22BrFN2O
13

Butoconazole Nitrate 98.0+%, TCI America™
SDP

CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]

PubChem CID 47471
CAS 64872-77-1
Molecular Weight (g/mol) 474.781
ChEBI CHEBI:3241
MDL Number MFCD00058159
SMILES C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
Synonym 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate
IUPAC Name 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
InChI Key ZHPWRQIPPNZNML-UHFFFAOYSA-N
Molecular Formula C19H18Cl3N3O3S
14

Selleck Chemical LLC Mubritinib (TAK 165) 200mg 366017-09-6

Mubritinib (TAK-165) is a potent inhibitor of HER2/ErbB2 with IC50 of 6 nM in BT-474 cell; no activity to EGFR, FGFR, PDGFR, JAK1, Src and Blk in BT-474 cell line. Phase 1. *For Research & Development use only.  Product is not intended for drug, household, or human consumption.

ENCOMPASS_PREFERRED
15

AdipoGen ()-Verapamil . hydrochloride (USP Grade)

(?)-Verapamil . hydrochloride (USP Grade), AdipoGen Life Sciences. Chemical. CAS: 152-11-4. Formula: C27H38N2O4 . HCl. MW: 454.6 . 36.5. Synthetic. alpha1-Adrenergic receptor (alpha-AR) antagonist. Prototypical calcium channel protein inhibitor that blocks the L-type Ca2+ channels in smooth and cardiac muscle cells. Vasodilator known to reduce the renal clearance of digoxin and used to control hypertension, angina, cardiac arrhythmia and vascular headaches. Apoptosis inducer in primary and metastatic colon adenocarcinoma human cell lines in vitro. Inhibitor of drug efflux pump proteins such as Mdr (P-glycoprotein) which are often over-expressed in certain tumor cell lines. Substrate of CYP3A4 and CYP2C6. Used in fluorescent cell sorting for DNA content, as it blocks efflux of a variety of DNA-binding fluorophores such as Hoechst 33342. Anti-diabetic in animal models by limiting TXNIP expression.

ENCOMPASS_PREFERRED