Compound Summary
Compound Information
nisoldipine
Compound Name: | nisoldipine |
Compound CID: | 4499 |
Synonyms: | nisoldipine 63675-72-9 Sular Nisocor Zadipina More... |
Iupac Name: | 3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
InChI: | InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3 |
InChIKey: | VKQFCGNPDRICFG-UHFFFAOYSA-N |
Canonical Smiles: | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Isomeric Smiles: | CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
Molecular Weight: | 388.4 |
Molecular Formula: | C20H24N2O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
nisoldipine
Molecular Weight: | 388.4 |
Molecular Formula: | C20H24N2O6 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 28 |
Complexity: | 704 |
Synonyms
nisoldipine
| nisoldipine | nisoldipine |
|---|---|
nisoldipine |
63675-72-9 |
Sular |
Nisocor |
Zadipina |
Nisoldipinum |
Baymycard |
Syscor |
3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
Nisoldipinum INN-Latin |
Nisoldipino INN-Spanish |
Bay k 5552 |
BAY-k 5552 |
Bay-k-5552 |
CHEBI:76917 |
methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
MFCD00478055 |
3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
CHEMBL441428 |
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester |
Nisoldipin |
Nisoldipino |
NCGC00164633-01 |
DSSTox_CID_3371 |
DSSTox_RID_76999 |
DSSTox_GSID_23371 |
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester |
3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
SMR000466370 |
CAS-63675-72-9 |
Sular (TN) |
SR-05000002009 |
EINECS 264-407-7 |
BRN 0454188 |
Nisoldipine (JAN/USAN/INN) |
Nisoldipine; |
Nisoldipine,(S) |
Nisoldipine USAN:INN:BAN:JAN |
(+-)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate |
Isobutyl 1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridincarboxylat |
Nisoldipine, ~97% |
(.+/-.)-Nisoldipine |
CHEMBL1726 |
SCHEMBL39779 |
MLS000759498 |
MLS001424102 |
MLS002153943 |
BIDD:GT0684 |
GTPL2524 |
CHEMBL3192341 |
DTXSID0023371 |
Nisoldipine, >=98% (HPLC) |
HMS2051O18 |
HMS2089K20 |
HMS2093F15 |
HMS2097E13 |
HMS2231L20 |
HMS3393O18 |
HMS3651K17 |
HMS3714E13 |
HMS3744O19 |
HMS3884I08 |
Pharmakon1600-01505390 |
BCP22696 |
Tox21_112251 |
Tox21_302365 |
AC-987 |
BBL028683 |
BDBM50101963 |
BDBM50227259 |
DL-255 |
NSC759106 |
s1748 |
STK631543 |
AKOS005563632 |
AKOS037515714 |
Tox21_112251_1 |
CCG-100894 |
CCG-213412 |
CS-1131 |
DB00401 |
KS-5188 |
MCULE-5009799152 |
NC00144 |
Nisoldipine 100 microg/mL in Methanol |
NSC 759106 |
NSC-759106 |
Bay K 5552;BAY-K 5552;Sular |
Isobutyl Methyl 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate |
O5-isobutyl O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
NCGC00164633-02 |
NCGC00164633-03 |
NCGC00255136-01 |
1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid Isobutyl Methyl Ester |
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, (+-)- |
6-BROMO-2,3-DIMETHOXYBENZOICACID |
BN164147 |
HY-17402 |
SBI-0206830.P001 |
((c)I)-Nisoldipine-d4(2-nitrophenyl-d4) |
AB0106136 |
FT-0601599 |
N0900 |
SW219237-1 |
C07699 |
D00618 |
J10291 |
AB01275444-01 |
AB01275444_02 |
675N729 |
A834466 |
Q3342150 |
SR-05000002009-1 |
SR-05000002009-2 |
SR-05000002009-3 |
BRD-A84465106-001-01-2 |
Z277942268 |
isobutyl methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
(+/-)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate |
(.+/-.)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate |
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, (.+/-.)- |
3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate # |
O5-isobutyl O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;Nisoldipine |
O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
Experimental Data
nisoldipine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 44.8 | 45.25 | 1.012 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 45.44 | 44.3 | -2.517 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 14.41 | 14.13 | -1.987 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 16.41 | 14.73 | -10.2 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
nisoldipine
Statistics Data
nisoldipine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.987 | 1 | 2 | |
| Drosophila melanogaster | 1.012 | 1 | 2 |
Statistics Data Visualization
nisoldipine
