Product Name

  • Name

    PIROHEPTINE

  • EINECS
  • CAS No. 16378-21-5
  • Density 1.068g/cm3
  • Solubility
  • Melting Point
  • Formula C22H25 N
  • Boiling Point 434.5°Cat760mmHg
  • Molecular Weight 303.447
  • Flash Point 191.7°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 16378-21-5 (PIROHEPTINE)
  • Hazard Symbols
  • Synonyms 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-ethyl-2-methylpyrrolidine;Piroheptine
  • PSA 3.24000
  • LogP 4.63910

Piroheptine Chemical Properties

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

Piroheptine 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

Piroheptine Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Piroheptine 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 .

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