Basic information
- CAS
72803-02-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc2nonc12- InChIKey
QERUYFVNIOLCHV-UHFFFAOYSA-N- Molecular formula
- C19H21N3O5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.14812078
Names & identifiers
- Preferred name
- Darodipine
- IUPAC
- diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Darodipine
- Molecular formula
- C19H21N3O5
- Molecular weight
- 371.39
Names & synonyms
DARODIPINE72803-02-2DarodipinoDarodipinumPY 108-068PY-108-068N4AL7X96GLDTXSID902231253,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, diethyl esterRefChem:585194DTXCID901456163,5-diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Show more names
PY-108063Darodipine(PY-108068)Darodipine, 10 mM in DMSOdiethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateDiethyl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatePY108068,Ca channels,PY 108068,Calcium Channel,Darodipine,Ca2+ channels,Inhibitor,inhibit
diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatePY-108068Diethyl 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylateDazodipindiethyl 4-(benzo[c][1,2,5]oxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatePY 108-068;PY-108068Darodipinum [Latin]Darodipino [Spanish]
Database identifiers
- CAS
72803-02-2- PubChem CID
- 51701
- DTXSID
DTXSID90223125- ChEMBL
CHEMBL2104154- UNII
- N4AL7X96GL
- Nikkaji
- J22.967I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Melting point
- 148 · 148-151°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- InChI
- InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
- InChIKey
- QERUYFVNIOLCHV-UHFFFAOYSA-N
- SMILES
- C1(C)NC(C)=C(C(OCC)=O)C(C2C3C(C=CC=2)=NON=3)C=1C(OCC)=O
- FDA UNII
- 4 AL7X96GL · N4AL7X96GL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesAntihypertensive; bronchodilator; vasodilator.
UsesDarodipine is a calcium channel antagonist.
Suppliers19 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
合肥新诺华生物科技有限公司13856035343 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
2 records
Compound notes
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