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| CAS Number | 55985-32-5 |
| Catalog Number | AG019FS8(AGN-PC-0SK11M) |
| Chemical Name | Nicardipine |
| EC Number | 259-932-3 |
| IUPAC Name | 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChI | InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 |
| InChI Key | ZBBHBTPTTSWHBA-UHFFFAOYSA-N |
| MDL Number | MFCD00216027 |
| Molecular Formula | C26H29N3O6 |
| Molecular Weight | 479.5250 |
| SMILES | CC=1NC(=C(C(C1C(=O)OC)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCN(C)CC1=CC=CC=C1)C |
| Synonyms | Antagonil,
Cardene,
Cardene I.V.,
Cardene SR,
Dagan,
Flusemide,
Hydrochloride, Nicardipine,
LA, Nicardipine,
Lecibral,
Lincil,
Loxen,
Lucenfal,
Nicardipine,
Nicardipine Hydrochloride,
Nicardipine LA,
Nicardipino Ratiopharm,
Nicardipino Seid,
Perdipine,
Ridene,
Vasonase,
Y 93,
Y-93,
Y93,
nicardipine,
55985-32-5,
Nicardipinum,
Nicardipino,
Nicardipinum [INN-Latin],
Nicardipino [INN-Spanish],
Nicardipine [INN:BAN],
Cardene,
CHEBI:7550,
C26H29N3O6,
Cardene (TN),
EINECS 259-932-3,
BRN 0504321,
ZBBHBTPTTSWHBA-UHFFFAOYSA-N,
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(benzylmethylamino)ethyl methyl ester,
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester,
NCGC00015747-03,
Nicardipine LA,
DSSTox_CID_3363,
DSSTox_RID_76992,
DSSTox_GSID_23363,
2-(Benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate,
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester,
5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
Cardene IV,
Nicardipine (INN),
CAS-55985-32-5,
Y-93,
3-(2-(benzyl(methyl)amino)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
(R,S)-nicardipine,
Spectrum_001372,
Prestwick0_000383,
Prestwick1_000383,
Prestwick2_000383,
Prestwick3_000383,
Spectrum2_001415,
Spectrum3_001452,
Spectrum4_000422,
Spectrum5_001320,
AC1L1I8Y,
CHEMBL1484,
CBiol_001802,
Lopac0_000809,
Oprea1_436998,
SCHEMBL34277,
BSPBio_000565,
BSPBio_001389,
BSPBio_002943,
KBioGR_000109,
KBioGR_000744,
KBioSS_000109,
KBioSS_001852,
BIDD:GT0621,
DivK1c_000540,
SPBio_001490,
SPBio_002486,
BPBio1_000623,
GTPL2559,
CHEMBL3302409,
DTXSID6023363,
KBio1_000540,
KBio2_000109,
KBio2_001852,
KBio2_002677,
KBio2_004420,
KBio2_005245,
KBio2_006988,
KBio3_000217,
KBio3_000218,
KBio3_002443,
NINDS_000540,
Bio1_000088,
Bio1_000577,
Bio1_001066,
Bio2_000109,
Bio2_000589,
HMS1791F11,
HMS1989F11,
HMS2089C09,
BCP21397,
Tox21_110211,
BDBM50101815,
AKOS001637090,
Tox21_110211_1,
CCG-204893,
CS-3685,
DB00622,
IDI1_000540,
IDI1_033859,
NCGC00015747-02,
NCGC00015747-04,
NCGC00015747-05,
NCGC00015747-06,
NCGC00015747-07,
NCGC00015747-09,
NCGC00015747-11,
NCGC00162262-01,
NCGC00162262-02,
NCGC00162262-03,
NCGC00162262-04,
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-(benzylmethylamino)ethyl methyl ester,
AC-19947,
AN-40257,
BC215912,
CC-32825,
HY-12515,
methyl 2-[methyl(phenylmethyl)amino]ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
SBI-0050786.P003,
LS-131263,
AB00514658,
FT-0630688,
V1328,
C07264,
D08270,
45480-EP2269989A1,
45480-EP2270011A1,
45480-EP2272841A1,
45480-EP2275420A1,
45480-EP2280008A2,
45480-EP2295406A1,
45480-EP2298742A1,
45480-EP2298764A1,
45480-EP2298765A1,
45480-EP2298772A1,
45480-EP2298779A1,
45480-EP2301923A1,
45480-EP2301931A1,
45480-EP2301936A1,
45480-EP2305648A1,
45480-EP2308839A1,
45480-EP2311806A2,
AB00053604-03,
AB00053604_04,
AB00053604_05,
985N325,
C-22792,
L000715,
BRD-A26711594-001-02-7,
BRD-A26711594-003-05-6,
BRD-A26711594-003-06-4,
2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[ 2-(N-benzyl-N-methylamino)ethoxycarbonyl]-1,4-dihydropyridine,
2-(Benzylmethylamino) ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate,
2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
3-(2-[Benzyl(methyl)amino]ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #,
5-O-[2-[Benzyl(methyl)amino]ethyl] 3-O-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
Methyl 2-(benzyl-methyl-amino)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
O5-[2-[benzyl(methyl)amino]ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,
Perdipine,
Nicardipine HCl,
Antagonil,
Flusemide,
Lecibral,
Lucenfal,
Perpidine,
Vasonase,
Lincil,
Ridene,
Cardene SR,
Dagan,
Loxen,
Nicardipino Seid,
LA, Nicardipine,
Cardene I.V.,
Nicardipino Ratiopharm,
NICARDIPINE HYDROCHLORIDE,
(+/-)-Nicardipine,
Hydrochloride, Nicardipine,
D0T0KA,
UNII-CZ5312222S,
YC-93,
CID4474,
C26-H29-N3-O6,
CS-O-01985,
CS-O-05536,
CZ5312222S,
Y 93,
D009529,
2-(Benzylmethylamino)ethylmethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate,
54527-84-3,
Y93,
|
| Complexity | 856 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 479.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.533g/mol |
| Monoisotopic Mass | 479.206g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

