- Benidipine
- Benidipine hydrochloride
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Cas Database |
| Name |
Benidipine hydrochloride |
EINECS | 663-500-3 |
| CAS No. | 91599-74-5 | Density | N/A |
| PSA | 124.28000 | LogP | 3.74270 |
| Solubility | N/A | Melting Point |
199-201oC |
| Formula | C28H32ClN3O6 | Boiling Point | 625.2 °C at 760 mmHg |
| Molecular Weight | 542.032 | Flash Point | 331.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 45 | Risk Codes | 25 |
| Molecular Structure |
|
Hazard Symbols | T |
| Synonyms |
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl(3R)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4R)-rel- (9CI);Coniel;KW 3049; |
Article Data | 2 |
Benidipine hydrochloride Chemical Properties
Molecular Formula: C28H32ClN3O6
Molar mass: 542.03 g/mol
Flash Point: 344.4 °C
Boiling Point: 645.9 °C at 760 mmHg
Vapour Pressure: 6.32E-17 mmHg at 25°C
Product categories of Benidipine hydrochloride (91599-74-5): Antihypertensive;Pharmaceuticals;Intermediates & Fine Chemicals
Structure of Benidipine hydrochloride (91599-74-5):
H-Bond Donor: 2
H-Bond Acceptor: 8
Systematic Name: O3-[(3R)-1-Benzyl-3-piperidyl] O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SMILES: Cl.[O-][N+](=O)c1cccc(c1)[C@@H]4C(/C(=O)OC)=C(\N\C(=C4\C(=O)O[C@@H]3CCCN(Cc2ccccc2)C3)C)C
InChI: InChI=1/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1
InChIKey: KILKDKRQBYMKQX-MIPPOABVBL
Std. InChI: InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1
Std. InChIKey: KILKDKRQBYMKQX-MIPPOABVSA-N
Benidipine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | oral | 29300ug/kg (29.3mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: NAUSEA OR VOMITING | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1811, 1990. |
| mouse | LD50 | intraperitoneal | 21500ug/kg (21.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: YSPNEA GASTROINTESTINAL: OTHER CHANGES | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| mouse | LD50 | intravenous | 2500ug/kg (2.5mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| mouse | LD50 | oral | 322mg/kg (322mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: OTHER CHANGES | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| mouse | LD50 | subcutaneous | 33500ug/kg (33.5mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| rat | LD50 | intraperitoneal | 15100ug/kg (15.1mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: MULTIPLE EFFECTS | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| rat | LD50 | intravenous | 4400ug/kg (4.4mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: MULTIPLE EFFECTS | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| rat | LD50 | oral | 87600ug/kg (87.6mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: MULTIPLE EFFECTS | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
| rat | LD50 | subcutaneous | 276mg/kg (276mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA LIVER: MULTIPLE EFFECTS | Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990. |
Benidipine hydrochloride Safety Profile
A poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and HCl.
Benidipine hydrochloride Specification
Benidipine hydrochloride (91599-74-5) also can be called Coniel ; Coniel R ; (+-)-Benidipine hydrochloride ; (-)-alpha-Benidipine hydrochloride ; Benidipine hydrochloride (JP15) .
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