Product Name

  • Name

    amitriptyline N-oxide

  • EINECS
  • CAS No. 4317-14-0
  • Article Data4
  • CAS DataBase
  • Density g/cm3
  • Solubility
  • Melting Point 228-230°; mp 102-103°
  • Formula C20H23 N O
  • Boiling Point °Cat760mmHg
  • Molecular Weight 293.409
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intraperitoneal, and intravenous routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 4317-14-0 (amitriptyline N-oxide)
  • Hazard Symbols
  • Synonyms 5H-Dibenzo[a,d]cycloheptene-D5,g-propylamine, 10,11-dihydro-N,N-dimethyl-, N-oxide(7CI,8CI); Amitriptyline N-oxide; Amitriptyline oxide; Amitriptylinoxide;Equilibrin
  • PSA 29.43000
  • LogP 4.20210

Amitriptyline N-oxide Chemical Properties

Empirical Formula of Amitriptyline N-oxide (CAS NO.4317-14-0): C20H23NO
Molecular Weight: 293.4027 
Structure of Amitriptyline N-oxide (CAS NO.4317-14-0):
                        
Canonical SMILES: C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-]
InChI: InChI=1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey: ZPMKQFOGINQDAM-UHFFFAOYSA-N

Amitriptyline N-oxide Toxicity Data With Reference

1.    

orl-rat LD50:1800 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
2.    

ipr-rat LD50:110 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
3.    

ivn-rat LD50:25 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
4.    

orl-mus LD50:330 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
5.    

ipr-mus LD50:320 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
6.    

ivn-mus LD50:87 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
7.    

orl-dog LD50:330 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
8.    

orl-rbt LD50:330 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.
9.    

orl-gpg LD50:330 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 28 (1978),1898.

Amitriptyline N-oxide Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Amitriptyline N-oxide Specification

 Amitriptyline N-oxide (CAS NO.4317-14-0) also can be called Amitriptylinoxide ; Equilibrin ; and 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-N-oxide .

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