Home > Compound List > Compound details
1346616-97-4 molecular structure
click picture or here to close

3-ethyl 5-methyl (4S)-2-{[2-amino(2H4)ethoxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

ChemBase ID: 160553
Molecular Formular: C20H25ClN2O5
Molecular Mass: 408.8759
Monoisotopic Mass: 408.14519959
SMILES and InChIs

SMILES:
N1C(=C([C@@H](C(=C1COCCN)C(=O)OCC)c1ccccc1Cl)C(=O)OC)C
Canonical SMILES:
NCCOCC1=C(C(=O)OCC)[C@H](C(=C(N1)C)C(=O)OC)c1ccccc1Cl
InChI:
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
InChIKey:
HTIQEAQVCYTUBX-KRWDZBQOSA-N

Cite this record

CBID:160553 http://www.chembase.cn/molecule-160553.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethyl 5-methyl (4S)-2-{[2-amino(2H4)ethoxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Traditional name
3-ethyl 5-methyl (4S)-2-{[2-amino(2H4)ethoxy]methyl}-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Synonyms
(4S)-2-[[2-Amino(ethoxy-d4)]methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-Methyl Ester
(-)-Amlodipine-d4
(R)-(-)-Amlodipine-d4
Levamlodipine-d4
Levoamlodipine-d4
Lodien-d4
l-Amlodipine-d4
(S)-Amlodipine-d4
CAS Number
1346616-97-4
PubChem SID
162254688
PubChem CID
71313378

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A633493 external link Add to cart
PubChem 71313378 external link
Data Source Data ID Price
TRC
A633493 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313378 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.366646  LogD (pH = 7.4) -0.37164375 
Log P 1.6355954  Molar Refractivity 108.6381 cm3
Polarizability 41.695133 Å3 Polar Surface Area 99.88 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
A633493 expand Show data source
Melting Point
105-107°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A633493 external link
A labelled (S)-enantiomer of Amlodipine (A633495). A dihydropyridine calcium channel blocker; activity resides mainly in the (-)-isomer.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Arrowsmith, J.E., et al.: J. Med. Chem., 29, 1696 (1986)
  • • Burges, R.A., et al.: J. Cardiovasc. Pharmacol., 9, 110 (1986)
  • • Haria, M., et al.: Drugs, 50, 560 (1986)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle