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Basic information
- CAS
21881-78-7- Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1- InChIKey
UPOXKUKUWZYRQV-UHFFFAOYSA-N- Molecular formula
- C21H26N2O6
- Average molar mass
- 402.447 g/mol
- Monoisotopic mass
- 402.17908655
Names & identifiers
- Preferred name
- 3,5-Bis(1-methylethyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
- IUPAC
- Dipropan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid bis(1-methylethyl) ester
- Molecular formula
- C21H26N2O6
- Molecular weight
- 402.44
Names & synonyms
Nimodipine EP Imp BNimodipine Impurity 2Nilvadipine Impurity DNilvadipine Impurity 4Nitrendipine Impurity 8Nimodipine EP Impurity BNitrendipine Impurity1224Nimodipine Impurity B ControlBis(1-methylethyl) 2,6-Dimethyl-4-(Nimodipine EP Impurity B(Nitrendipine Impurity1224)
Database identifiers
- CAS
21881-78-7- PubChem CID
- 4346554
- DTXSID
DTXSID501121456- ChEMBL
CHEMBL1095860- UNII
- 7DL8XRH66U
- EC Number
- 642-092-0
- Nikkaji
- J1.989.054F
Properties
Physicochemical properties
- Melting point
- 123 · 123-125℃ (ethanol )
- Boiling point
- 512.1 · 512.1±50.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.94 · 2.94±0.70(Predicted)
- color
- Pale Beige
- Stability
- Hygroscopic
- InChI
- 1S/C21H26N2O6/c1-11(2)28-20(24)17-13(5)22-14(6)18(21(25)29-12(3)4)19(17)15-8-7-9-16(10-15)23(26)27/h7-12,19,22H,1-6H3
- InChIKey
- UPOXKUKUWZYRQV-UHFFFAOYSA-N
- SMILES
- CC1=C(C(OC(C)C)=O)C(C(C(OC(C)C)=O)=C(C)N1)C2=CC=CC([N+]([O-])=O)=C2
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses3-Des(2-methoxyethyl) 3-(1-Methylethyl) Ester Nimodipine (Nimodipine EP Impurity B) can be used in synthetic preparation of dihydropyridinedicarboxylic acid esters by methylimidazolium trifluoroacetate-catalyzed Hantzsch cyclocondensation reaction of oxo-carboxylic acid esters with aldehydes and ammonium acetate. It can also be used as an analyte for analytical study in developing and optimizing a validated isocratic reversed-phase high-performance liquid chromatograhy separation of nimodipine and impurities in tablets using experimental. design methodology. It is an impurity of the drug Nimodipine (N478200).
Suppliers67 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
山东艾莎科技有限公司15092135101 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广州隽唐科技有限公司
Related reactions
0 records
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Compound notes
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