Nifedipine
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Basic Info
| FADB-China ID | C0456 |
| Substance Name | Nifedipine |
| Substance Chinese Name | 硝苯地平 |
| Molecular Name | Nifedipine |
| Molecular Chinese Name | 硝苯地平 |
| 2D Structure | |
| CAS Number | 21829-25-4 |
| PubChem CID | 4485 |
| Formula | C17H18N2O6 |
| IUPAC Name | Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChI Key | HYIMSNHJOBLJNT-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 |
| Canonical SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| Isomeric SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| CFM-ID 3.0 | URL Link |
| Related links | Processing |
| Addition Purposes | Enhance health care function |
| Molecular Synonyms |
Nifedipine
21829-25-4
Adalat
Procardia
Procardia XL
Adalat CC
Cordipin
Corinfar
Fenihidine
Citilat
|
| Data Uploader | MinQing Cai |
| Update Date | Jul 25, 2019 20:46 |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 346.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Complexity | 608 |
| Monoisotopic Mass | 346.11648631 |
| Exact Mass | 346.11648631 |
| XLogP | 2.2 |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Related Foods
| FADB-China ID | F0134 |
| Food Image |  |
| Food Name | Food and health products |
| Food Chinese Name | 食品及保健品 |
| Food Type | Processed food |
| References | 食品补充检验方法征集目录 |
Potential Illegal Additives
| ID | Structure | Name | Source | PubChem Link |
|---|---|---|---|---|
Nisoldipine |
DrugBank, ToxCast & Tox21 Chemicals |
Link |
||
Aranidipine |
ToxCast & Tox21 Chemicals |
Link |
References
| Title | DOI/PubMed/ISSN |
|---|---|
| Simultaneous Determination of 10 Adulterants in Antihypertensive Functional Foods Using Multi-Walled Carbon Nanotubes-Dispersive Solid-Phase Extraction Coupled with High Performance Liquid Chromatography. | 25840433 |
| 食品补充检验方法征集目录 |