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| CAS No.: | 21829-25-4 |
|---|---|
| Name: | Nifedipine |
| Article Data: | 71 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H18N2O6 |
| Molecular Weight: | 346.34 |
| Synonyms: | Fenamon;Fenihidine;Hadipine;Introcar;Macorel;Myogard;Nedipin;Nicardia retard;Nifar;Nifebene;Nifecor;Nifedepat;Nifedin;Nifedipine;Nifedipres;Nifelan;Adalat LA;Adalat LP;Adalat Oros; |
| EINECS: | 244-598-3 |
| Density: | 1.271 g/cm3 |
| Melting Point: | 171-175 °C |
| Boiling Point: | 475.3 °C at 760 mmHg |
| Flash Point: | 241.2 °C |
| Solubility: | soluble in DMSO |
| Appearance: | yellow crystalline solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 110.45000 |
| LogP: | 3.02760 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
| Conditions | Yield |
|---|---|
| With C23H3BF16N2O; ammonium acetate In toluene at 100℃; for 10h; Hantzsch Dihydropyridine Synthesis; | 95% |
| With ammonium acetate; sodium dodecyl-sulfate; toluene-4-sulfonic acid for 1h; Hantzsch reaction; ultrasonic irradiation; | 92% |
| With ammonium acetate at 75℃; for 3h; Hantzsch reaction; Neat (no solvent); | 92% |
- 126192-87-8
1-methoxy-1-(2'-nitrophenyl)-N-(2'-nitrophenyl)methylenemethaneamine
- 105-45-3
acetoacetic acid methyl ester
- 14205-39-1
methyl 3-aminocrotonate
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In methanol for 36h; Heating; | 82.6% |
- 126192-87-8
1-methoxy-1-(2'-nitrophenyl)-N-(2'-nitrophenyl)methylenemethaneamine
- 14205-39-1
methyl 3-aminocrotonate
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In methanol; acetic acid | 82.6% |
- 105-45-3
acetoacetic acid methyl ester
- 552-89-6
2-nitro-benzaldehyde
- 14205-39-1
methyl 3-aminocrotonate
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In ethanol Heating; | 80% |
| With sodium tosylate In water for 0.3h; Time; Hantzsch Dihydropyridine Synthesis; Microwave irradiation; Reflux; Green chemistry; | 42% |
| Conditions | Yield |
|---|---|
| In methanol; acetic acid | 78.5% |
- 105-45-3
acetoacetic acid methyl ester
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In methanol; acetic acid | 76% |
- 21731-17-9
methyl 3-aminocrotonate
- 124732-84-9
2-(o-nitro)phenyl-tetrahydro-(2H)-1,3-oxazine
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In acetonitrile; trifluoroacetic acid for 12h; Ambient temperature; | 75% |
- 126192-88-9
1-(2'-nitrophenyl)-N,N-bis-(2'-nitrophenyl)methylenemethanediamine
- 105-45-3
acetoacetic acid methyl ester
- 14205-39-1
methyl 3-aminocrotonate
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In methanol for 46h; | 75% |
- 126192-87-8
1-methoxy-1-(2'-nitrophenyl)-N-(2'-nitrophenyl)methylenemethaneamine
- 105-45-3
acetoacetic acid methyl ester
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| With ammonia In methanol; acetic acid | 74% |
| With ammonia In methanol | 71% |
| In methanol for 36h; Mechanism; Heating; |
- 21731-17-9
methyl 3-aminocrotonate
- 124732-83-8
2-(o-nitro)phenyl-4,4-dimethyloxazolidine
- 21829-25-4
nifedipine
| Conditions | Yield |
|---|---|
| In acetonitrile; trifluoroacetic acid for 10h; Ambient temperature; | 70% |
- 21829-52-7Carbonic acid, compound with 2-aminoethanol (1:2)
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Chemistry
IUPAC Name: dimethyl2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Empirical Formula: C17H18N2O6
Molecular Weight: 346.3346
EINECS: 244-598-3
Melting Point: 171-175 °C
Storage temp: 2-8 °C
Water Solubility: <0.1 g/100 mL at 19.5 °C
Index of Refraction: 1.558
Molar Refractivity: 87.9 cm3
Molar Volume: 272.2 cm3
Surface Tension: 46 dyne/cm
Density: 1.271 g/cm3
Flash Point: 241.2 °C
Enthalpy of Vaporization: 73.87 kJ/mol
Boiling Point: 475.3 °C at 760 mmHg
Vapour Pressure: 3.37E-09 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 7
Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
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
InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N
Product Categories of Adalat (CAS NO.21829-25-4): Pharmaceutical; Active Pharmaceutical Ingredients; Dihydropyridine Class Chemicals; Functional Materials; Photopolymerization Initiators; Intermediates & Fine Chemicals; Pharmaceuticals; Calcium channel; Ion Channels
Uses
Adalat (CAS NO.21829-25-4)'s main uses are as an antianginal (especially in Prinzmetal's angina) and antihypertensive, although a large number of other uses have recently been found for this agent, such as Raynaud's phenomenon, premature labor, and painful spasms of the esophagus in cancer and tetanus patients. It is also commonly used for the small subset of pulmonary hypertension patients whose symptoms respond to calcium channel blockers.
The approved uses forAdalat are the long-term treatment of hypertension (high blood pressure) and angina pectoris.
Adalat has been used frequently as a tocolytic (agent that delays premature labor). A Cochrane review has concluded that it is comparable with magnesium sulfate and beta-agonists (such as ritodrine) with fewer side-effects. Its role vis à vis atosiban is not established. It is also used in high-altitude medicine to treat high altitude pulmonary edema.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1, 1972. |
| cat | LDLo | intravenous | 500ug/kg (0.5mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1, 1972. |
| child | TDLo | oral | 70mg/kg (70mg/kg) | CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION ENDOCRINE: HYPERGLYCEMIA | Pediatrics. Vol. 86, Pg. 91, 1990. |
| man | TDLo | oral | 143ug/kg (0.143mg/kg) | Archives of Internal Medicine. Vol. 158, Pg. 1379, 1998. | |
| man | TDLo | oral | 143ug/kg/1D (0.143mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 380, 1972. |
| man | TDLo | oral | 714ug/kg (0.714mg/kg) | CARDIAC: CHANGE IN RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Annals of Emergency Medicine. Vol. 22, Pg. 196, 1993. |
| man | TDLo | oral | 1143ug/kg/2D- (1.143mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: TOXIC PSYCHOSIS | American Journal of Medicine. Vol. 81, Pg. 705, 1986. |
| man | TDLo | oral | 8571ug/kg (8.571mg/kg) | CARDIAC: CHANGE IN RATE VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Human & Experimental Toxicology. Vol. 9, Pg. 309, 1990. |
| man | TDLo | oral | 34286ug/kg (34.286mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: NECROTIC GHANGES | Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 725, 1995. |
| man | TDLo | oral | 105mg/kg/26W- (105mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION | Lancet. Vol. 339, Pg. 1382, 1992. |
| mouse | LD50 | intraperitoneal | 185mg/kg (185mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION | Pharmaceutical Chemistry Journal Vol. 16, Pg. 817, 1982. |
| mouse | LD50 | intravenous | 4200ug/kg (4.2mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1, 1972. |
| mouse | LD50 | oral | 202mg/kg (202mg/kg) | United States Patent Document. Vol. #3644627, | |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1831, 1971. |
| rabbit | LD50 | intravenous | 2mg/kg (2mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1, 1972. |
| rabbit | LD50 | oral | 504mg/kg (504mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 35, Pg. 915, 1985. |
| rat | LD50 | intraperitoneal | 230mg/kg (230mg/kg) | Yakkyoku. Pharmacy. Vol. 28, Pg. 1451, 1977. | |
| rat | LD50 | intravenous | 6mg/kg (6mg/kg) | Archives of Toxicology. Vol. 54, Pg. 275, 1983. | |
| rat | LD50 | oral | 1022mg/kg (1022mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1, 1972. |
| rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1831, 1971. |
| women | TDLo | oral | 600ug/kg/45M- (0.6mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION GASTROINTESTINAL: NAUSEA OR VOMITING | Archives of Internal Medicine. Vol. 147, Pg. 556, 1987. |
| women | TDLo | oral | 800ug/kg/1D-I (0.8mg/kg) | BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)" BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING | Postgraduate Medical Journal. Vol. 62, Pg. 1029, 1986. |
| women | TDLo | oral | 2400ug/kg/3D- (2.4mg/kg) | BEHAVIORAL: TOXIC PSYCHOSIS | British Medical Journal. Vol. 304, Pg. 1225, 1992. |
| women | TDLo | oral | 11200ug/kg (11.2mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Japanese Journal of Toxicology. Vol. 5, Pg. 79, 1992. |
| women | TDLo | oral | 31mg/kg/11W-I (31mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | American Heart Journal. Vol. 108, Pg. 611, 1984. |
Consensus Reports
Adalat is reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. Human systemic effects by ingestion: decreased blood pressure, BP lowering, cardiomyopathy, changes in regional blood flow, hyperglycemia, nausea or vomiting, respiratory depression, toxic psychosis. An experimental teratogen. Experimental reproductive effects. See also ESTERS. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: Xn
,Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: US7975000
Specification
Adalat , its CAS NO. is 21829-25-4, the synonyms are Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate ; 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester ; Nifedipine ; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester .
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