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| CAS No.: | 16378-21-5 |
|---|---|
| Name: | PIROHEPTINE |
| Molecular Structure: | |
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|
|
| Formula: | C22H25 N |
| Molecular Weight: | 303.447 |
| Synonyms: | 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-ethyl-2-methylpyrrolidine;Piroheptine |
| Density: | 1.068g/cm3 |
| Boiling Point: | 434.5°Cat760mmHg |
| Flash Point: | 191.7°C |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 3.24000 |
| LogP: | 4.63910 |
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Chemistry
Product Name: Piroheptine (CAS NO.16378-21-5)
Molecular Formula: C22H25N
Molecular Weight: 303.48g/mol
Mol File: 16378-21-5.mol
Boiling point: 434.5 °C at 760 mmHg
Flash Point: 191.7 °C
Density: 1.068 g/cm3
Surface Tension: 41.2 dyne/cm
Enthalpy of Vaporization: 69.06 kJ/mol
Vapour Pressure: 9.46E-08 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Piroheptine (CAS NO.16378-21-5):
Canonical SMILES: CCN1CCC(=C2C3=CC=CC=C3CCC4=CC=CC=C42)C1C
InChI: InChI=1S/C22H25N/c1-3-23-15-14-19(16(23)2)22-20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22/h4-11,16H,3,12-15H2,1-2H3
InChIKey: NKJQZSDCCLDOQH-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:600 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 2. | ipr-rat LD50:100 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 3. | scu-rat LD50:330 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 4. | ivn-rat LD50:16 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 5. | orl-mus LD50:127 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 6. | ipr-mus LD50:78 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 7. | scu-mus LD50:91 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 8. | ivn-mus LD50:19 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 9. | orl-dog LD50:195 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 10. | ivn-dog LD50:13 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 22 (1972),961. | ||
| 11. | &n |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
Piroheptine ,its CAS NO. is 16378-21-5,the synonyms is 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-ethyl-2-methylpyrrolidine ; Piroheptina ; Piroheptinum ; UNII-AR6Y753ARL .