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| CAS Number | 52-53-9 |
| Catalog Number | AG01FO2C(AGN-PC-0SCYO0) |
| Chemical Name | Verapamil-d7 Hydrochloride |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile |
| InChI | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 |
| InChI Key | SGTNSNPWRIOYBX-UHFFFAOYSA-N |
| MDL Number | MFCD00056240 |
| Molecular Formula | C27H38N2O4 |
| Molecular Weight | 454.6016 |
| SMILES | CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC |
| Synonyms | Calan,
Cordilox,
Dexverapamil,
Falicard,
Finoptin,
Hydrochloride, Verapamil,
Iproveratril,
Isoptin,
Isoptine,
Izoptin,
Lekoptin,
Verapamil,
Verapamil Hydrochloride,
VERAPAMIL,
Iproveratril,
52-53-9,
Vasolan,
Dilacoran,
Isoptin,
Calan,
Verapamilo,
Verapamilum,
Falicard,
Finoptin,
Isoptimo,
Isoptine,
Cordilox,
Lekoptin,
Verapamilum [INN-Latin],
Verapamilo [INN-Spanish],
Isotopin,
Securon,
Verelan,
Calcan,
Tarka,
D-365,
Cardibeltin,
Izoptin,
Verapamil [USAN:INN:BAN],
CP-16533-1,
Covera-HS,
Verelan PM,
5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile,
Cardiagutt,
Berkatens,
Dignover,
Geangin,
Veramex,
Verpamil,
Quasar,
Univer,
CCRIS 6749,
Novo-Veramil,
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile,
Apo-Verap,
Isoptin SR,
Nu-Verap,
Calan SR,
EINECS 200-145-1,
CHEBI:77733,
NSC 135784,
SGTNSNPWRIOYBX-UHFFFAOYSA-N,
C27H38N2O4,
Akilen,
5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile,
alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile,
Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-,
alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile,
alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile,
Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-,
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-,
Verapamil AL,
NCGC00016083-09,
5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile,
DSSTox_CID_21152,
DSSTox_RID_79636,
DSSTox_GSID_41152,
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile,
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-,
Drosteakard,
Arpamyl,
Veracim,
Veraptin,
Verexamil,
dl-Verapamil,
r,s-verapamil,
CAS-52-53-9,
(+/-)-VERAPAMIL,
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile,
Verapamil [USAN:BAN:INN],
NSC272366,
Verapamil (USAN/INN),
Ansyr,
vera|A,
NSC 272306NA,
EINECS 260-462-6,
Calan (Salt/Mix),
Akilen (Salt/Mix),
(+/-) verapamil,
(R)-(+)-Verapamil Hydrochloride,
Isoptin (Salt/Mix),
Cordilox (Salt/Mix),
delta-365,
Covera-HS (Salt/Mix),
Prestwick0_000141,
Prestwick1_000141,
Prestwick2_000141,
Prestwick3_000141,
Spectrum2_001740,
Spectrum4_000906,
Spectrum5_001786,
CP 16533-1,
D 365,
AC1L1DV5,
CHEMBL6966,
Lopac0_001237,
SCHEMBL16742,
BSPBio_000242,
BSPBio_001513,
BSPBio_002358,
KBioGR_000233,
KBioGR_001372,
KBioGR_002343,
KBioSS_000233,
KBioSS_002346,
MLS006011414,
DivK1c_000399,
SPBio_001820,
SPBio_002181,
BPBio1_000268,
GTPL2406,
CP 16533-1 (Verapamil),
DTXSID9041152,
SCHEMBL13287282,
(A+/-)-Verapamil hydrochloride,
BDBM81939,
CTK8D7130,
KBio1_000399,
KBio2_000233,
KBio2_002343,
KBio2_002801,
KBio2_004911,
KBio2_005369,
KBio2_007479,
KBio3_000465,
KBio3_000466,
KBio3_002823,
cMAP_000023,
NINDS_000399,
Bio1_000425,
Bio1_000914,
Bio1_001403,
Bio2_000233,
Bio2_000713,
HMS1791L15,
HMS1989L15,
HMS2089H17,
HMS3402L15,
Tox21_110300,
LS-174,
NSC_62969,
STK538085,
AKOS005468962,
Tox21_110300_1,
API0004584,
CCG-205311,
DB00661,
MCULE-3016077278,
CAS_52-53-9,
IDI1_000399,
IDI1_033983,
NCGC00016083-04,
NCGC00016083-05,
NCGC00016083-06,
NCGC00016083-07,
NCGC00016083-08,
NCGC00016083-10,
NCGC00016083-11,
NCGC00016083-13,
NCGC00016083-14,
NCGC00016083-15,
NCGC00016083-16,
NCGC00016083-17,
NCGC00016083-18,
NCGC00016083-20,
NCGC00024710-04,
NCGC00024710-05,
NCGC00024710-06,
NCGC00024710-07,
NCGC00024710-08,
NCGC00024710-09,
NCGC00344584-01,
2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile,
56949-77-0,
AC-16016,
AN-41629,
BP-21223,
CC-35584,
NCI60_020143,
SC-17292,
SMR001550201,
SBI-0051204.P003,
CP-165331,
AB00053495,
FT-0080127,
FT-0603225,
ST50826367,
36622-29-4,
CP-16,533-1,
1394-EP2270011A1,
1394-EP2272841A1,
1394-EP2272972A1,
1394-EP2272973A1,
1394-EP2275420A1,
1394-EP2277865A1,
1394-EP2277872A1,
1394-EP2280008A2,
1394-EP2298742A1,
1394-EP2298764A1,
1394-EP2298765A1,
1394-EP2298776A1,
1394-EP2298779A1,
1394-EP2301923A1,
1394-EP2301931A1,
1394-EP2301936A1,
1394-EP2305648A1,
1394-EP2314585A1,
1394-EP2316832A1,
1394-EP2316833A1,
52V114,
C07188,
D02356,
AB00053495-20,
AB00053495_21,
C-22537,
L001330,
I06-0063,
BRD-A09533288-001-02-7,
BRD-A09533288-003-05-6,
CP-165331 / CP-16533-1,
F2173-0851,
VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE,
.alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile,
(?)-alpha-[3-[[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile,
(2R)-2-(3,4-Dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile,
2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)-,
2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile #,
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]methylamino}-2-(methy lethyl)pentanenitrile,
Dexverapamil,
Verapamil HCl,
Manidon,
Cardioprotect,
Dexverapamilo,
Dexverapamilum,
Veroptinstada,
Cardiabeltin,
Durasoptin,
Hexasoptin,
Veratensin,
Calaptin,
Corpamil,
Hormitol,
Ikapress,
Isoptino,
Jenapamil,
Magotiron,
Praecicor,
Robatelan,
Vasopten,
Verabeta,
Verahexal,
Verasifar,
Verdilac,
Vetrimil,
Caveril,
Civicor,
Coraver,
Harteze,
Inselon,
Lodixal,
Vasomil,
Veracor,
Veraloc,
Veramil,
Verapin,
Verasal,
Elthon,
Flamon,
Ikacor,
Univex,
Vortac,
Anpec,
Ormil,
Rapam,
verapamil-,
Verapamil Ebewe,
Verapamil hydrochloride,
Verapamil Riker,
Verapamil Verla,
Civicor Retard,
Isoptin Retard,
Manidon Retard,
Vera-Sanorania,
Verapamil Acis,
Verapamil Atid,
Verapamil Basics,
Verapamil Nordic,
Verapamil-AbZ,
Novapamyl LP,
RS-Verapamil,
Verapamil NM,
Verapamil PB,
Verapamil SR,
Cordilox SR,
Dilacoran HTA,
Veracaps SR,
Verapamil MSD,
Hexasoptin Retard,
Verapamil Henning,
Arpamyl LP,
Verelan SR,
(+-)-Verapamil,
Verapamil Injection,
Bosoptin (TN),
Isoptin (TN),
Verelan (TN),
Covera-hs (TN),
Verapamil NM Pharma,
Dexverapamil [INN],
Calan (TN),
Calaptin 240 SR,
Verapress 240 SR,
Hydrochloride, Verapamil,
UNII-CJ0O37KU29,
D0R0FE,
UNII-QR5PYD126V,
Dexverapamilum [INN-Latin],
Dexverapamilo [INN-Spanish],
CJ0O37KU29,
HSDB 3928,
CID2520,
Verapamil (Na-Ca chanel blocker),
EINECS 253-878-4,
NSC657799,
C27-H38-N2-O4,
CS-O-30814,
Linoleamidopropyl PG-dimonium chloride phosphate,
D014700,
152-11-4,
(1)-3-(3,4-Dimethoxyphenyl)-6-((5,6-dimethoxyphenethyl)methylamino)hexane-3-carbonitrile,
38321-02-7,
(+)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile,
(+-)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile,
1794-55-4,
38099-34-2,
Benzeneacetonitrile, a-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-a-(1-methylethyl)-, HCl salt,
Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, (+)-,
Benzeneacetonitrile, alpha-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-alpha-(1-methylethyl)-,
Benzeneacetonitrilo, Alfa-[3-[[2-(3,4-dimetoxifenil) etilo] metilamino] propil]-3,4-dimetoxi-alfa-(1-metiletil)-,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.611g/mol |
| Monoisotopic Mass | 454.283g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 64A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
| Symbol: | |
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| Chemical Structure: | CAS Registry No: | |
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