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Atorvastatin calcium

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Identification
Molecular formula
C33H35FN2O5
CAS number
134523-00-5
IUPAC name
O5-isopropyl O3-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
State
State

Solid at room temperature.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.15
Boiling point (Celsius)
686.90
Boiling point (Kelvin)
960.05
General information
Molecular weight
558.65g/mol
Molar mass
558.6460g/mol
Density
1.2000g/cm3
Appearence

Off-white to light yellow crystalline powder.

Comment on solubility

Solubility of O5-isopropyl O3-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

The solubility of the compound C33H35FN2O5 is of particular interest due to its complex structure and the presence of multiple functional groups. Here’s what you need to know:

  • Polarity: The presence of polar functional groups, such as carboxylate and nitrogen-containing moieties, typically enhances solubility in polar solvents like water.
  • Solvent Compatibility: This compound is likely to be:
    • Highly soluble in protic solvents (e.g., alcohols)
    • Moderately soluble in aprotic solvents (e.g., acetone)
    • Poorly soluble in nonpolar solvents (e.g., hexane)
  • Temperature Effects: Solubility can significantly increase with rising temperatures, making thermal conditions a pivotal factor for experiments involving this compound.
  • Ionic Interactions: The presence of fluorine and nitrogen may modulate solubility through hydrogen bonding and other interactions with solvent molecules.

In summary, the solubility of C33H35FN2O5 is expected to be influenced by its overall polarity and the specific conditions under which it is tested. As a rule of thumb, when dealing with organic compounds, like dissolves like— polar compounds will show enhanced solubility in polar solvents.

Interesting facts

Insights into 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

This intriguing compound, known for its distinctive structural characteristics, has garnered attention in various fields of research. Here are some fascinating aspects to consider:

  • Structural Complexity: The compound features a dihydropyridine framework, which is recognized for its versatile chemistry and potential applications in medicinal chemistry. The presence of both methyl and isopropyl groups contributes to its unique properties.
  • Fluorescent Properties: The inclusion of a benzoxadiazole moiety suggests potential for fluorescence, making this compound a candidate for applications in optoelectronics and fluorescent imaging.
  • Biological Activity: Dihydropyridine derivatives are often investigated for their biological activities, including vascular and cardioprotective properties. This compound may serve as a lead for developing new pharmacological agents.
  • Synthetic Challenges: The multi-functionalization of the dihydropyridine core posits interesting synthetic challenges for chemists, highlighting the need for innovative methodologies in organic synthesis.
  • Potential Agricultural Uses: Compounds with similar structures are often explored for their effects on plant growth and pest management, suggesting a potential pathway for agricultural applications.

This compound exemplifies the intersection of organic chemistry with medicinal and materials science, inviting further exploration and research for its vast potential applications.

Synonyms
isradipine
75695-93-1
DynaCirc
Isradipin
Prescal
Lomir
Isrodipine
Dynacirc CR
Esradin
Clivoten
Isradipino
Dynacrine
Isradipinum [Latin]
PN 200-110
Isradipino [Spanish]
PN-200-110
Isradipinum
Rebriden
(+-)-Isradipine
DynaCire
DynaCire CR
PN 200
(+/-)-Isradipine
3-isopropyl 5-methyl 4-(benzo[c][1,2,5]oxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
131970-21-3
UNII-YO1UK1S598
MFCD00153820
NSC-759892
YO1UK1S598
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
DTXSID4023179
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
DTXCID203179
Isradipine [USAN:USP:INN:BAN]
Isradipinum (Latin)
NSC 759892
ISRADIPINE (MART.)
ISRADIPINE [MART.]
ISRADIPINE (USP-RS)
ISRADIPINE [USP-RS]
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester, (+-)-
Isradipine (Dynacirc)
ISRADIPINE (EP MONOGRAPH)
ISRADIPINE [EP MONOGRAPH]
ISRADIPINE (USP MONOGRAPH)
ISRADIPINE [USP MONOGRAPH]
Isradipine (USAN:USP:INN:BAN)
Icaz
C19H21N3O5
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(4-BENZOFURAZANYL)-1,4-DIHYDRO-2,6-DIMETHYL-, METHYL 1-METHYLETHYL ESTER, (+/-)-
3-methyl 5-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
ISOPROPYL METHYL (+/-)-4-(4-BENZOFURAZANYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE
SMR000466320
SMR002529690
DynaCirc (TN)
Isradipine (USP/INN)
SR-01000597526
isradipina
NCGC00016931-01
Isradipine; Methyl 1-methylethyl (4RS)-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
(plusmn)-isradipine
CAS-75695-93-1
PN200-110
Isopropyl methyl (+-)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Isradipine (Standard)
Spectrum_000218
ISRADIPINE [MI]
PN-200110
ISRADIPINE [INN]
Prestwick0_001021
Prestwick1_001021
Prestwick2_001021
Prestwick3_001021
(.+/-.)-Isradipine
ISRADIPINE [USAN]
ISRADIPINE [VANDF]
CHEMBL1648
ISRADIPINE [WHO-DD]
SCHEMBL34555
BSPBio_001201
KBioSS_000698
MLS000759425
MLS001424076
MLS002154106
MLS003915633
MLS006010138
O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SPBio_003062
BPBio1_001323
CHEBI:6073
CHEMBL315436
GTPL4488
CHEMBL3211306
ISRADIPINE [ORANGE BOOK]
HY-B0233R
KBio2_000698
KBio2_003266
KBio2_005834
C08CA03
HMS1571M03
HMS2051J12
HMS2098M03
HMS2235O12
HMS3268D21
HMS3393J12
HMS3413A15
HMS3655C17
HMS3677A15
HMS3715M03
HMS3753I21
HMS3884E06
Pharmakon1600-02300234
BCP06719
HY-B0233
Benzo[1,2,5]oxadiazol-4-aldehyde
Tox21_110690
BDBM50436176
HB1223
NSC759892
s1662
AKOS015895129
Isradipine, >=98% (HPLC), solid
Tox21_110690_1
AC-8539
CCG-101027
CCG-213711
DB00270
FI24738
HS-0085
NC00277
Isopropyl Methyl 4-(4-Benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
NCGC00025341-01
NCGC00025341-02
NCGC00025341-03
NCGC00025341-06
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester (9CI)
4-(2,1,3-Benzooxadiazol-4-yl)-2.6-dimethyl-1,4-dihydro-3-isopropyloxycarbonylpyridine-5-carboxylic Acid Methyl Ester
4-(2,1,3-Benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinecarboxylic acid methyl 1-methylethyl ester
4-(4-Benzofurazanyl)-1,-4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methhylethyl ester
4-(4-Benzofurazanyl)-1,-4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester
4-(4-Benzofurazanyl)-1,4-dihydro-2,-6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester
isopropyl 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-3-pyridinecarboxylate
methyl 1-methylethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PD002963
PD033063
DB-055981
DB-230560
AB00514007
I0876
NS00004669
SW220017-1
A12823
D00349
SBI-0634304.0001
AB00514007_02
AB00514007_03
EN300-19741623
Q414873
SR-01000597526-1
SR-01000597526-2
SR-01000597526-8
BRD-A90799790-001-03-3
BRD-A90799790-001-10-8
BRD-A90799790-001-16-5
BRD-A90799790-001-17-3
BRD-A90799790-001-19-9
Isradipine, European Pharmacopoeia (EP) Reference Standard
Isradipine, United States Pharmacopeia (USP) Reference Standard
Isopropyl Methyl 4-(2,1,3-Benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimet
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester, (.+/-.)-
3-Isopropyl 5-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate #
4-(2,1,3-Benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3-isopropyloxycarbonyl-pyridine-5-carboxylic acid methyl ester
4-(4-Benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Isopropyl Methyl Ester
4-(4-Benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester;Isrodipine;PN-200-110
Isopropyl methyl (.+/-.)-4-(4-benzfurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Isopropyl methyl (.+/-.)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Isopropyl methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Isopropyl methyl(+-)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate