Product Name

  • Name

    1-{2-[2-(diethylamino)ethyl]phenyl}cyclopentanecarbothioic S-acid hydrochloride

  • EINECS
  • CAS No. 57554-34-4
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C18H27NOS•ClH
  • Boiling Point 413.5°Cat760mmHg
  • Molecular Weight 341.98
  • Flash Point 203.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intramuscular, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 57554-34-4 (1-{2-[2-(diethylamino)ethyl]phenyl}cyclopentanecarbothioic S-acid hydrochloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Caramiphen hydrochloride Chemical Properties

Molecular Structure of Caramiphen hydrochloride (CAS NO. 57554-34-4):

IUPAC Name: 1-[2-(2-Diethylaminoethyl)phenyl]cyclopentane-1-carbothioic S-acid hydrochloride  
Molecular Formula: C18H28ClNOS
Molecular Weight: 341.939020 g/mol
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CCN(CC)CCC1=CC=CC=C1C2(CCCC2)C(=O)S.Cl
InChI: InChI=1S/C18H27NOS.ClH/c1-3-19(4-2)14-11-15-9-5-6-10-16(15)18(17(20)21)12-7-8-13-18;/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,20,21);1H
InChIKey: LYYUVHHNWBREEP-UHFFFAOYSA-N
Flash Point: 203.9 °C
Enthalpy of Vaporization: 66.63 kJ/mol
Boiling Point: 413.5 °C at 760 mmHg
Vapour Pressure: 4.77E-07 mmHg at 25 °C
Polar Surface Area of Caramiphen hydrochloride (CAS NO. 57554-34-4): 45.61 Å2

Caramiphen hydrochloride Toxicity Data With Reference

1.    

ims-rat LD50:1148 µg/kg

     BJPCBM    British Journal of Pharmacology. 39 (1970),822.
2.    

orl-mus LD50:180 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 111 (1972),293.
3.    

ipr-mus LD50:339 mg/kg

     EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 10 (1975),262.
4.    

ims-mus LD50:651 µg/kg

     BJPCBM    British Journal of Pharmacology. 39 (1970),822.
5.    

ims-gpg LD50:115 µg/kg

     BJPCBM    British Journal of Pharmacology. 39 (1970),822.

Caramiphen hydrochloride Safety Profile

Poison by ingestion, intramuscular, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx, NOx, and HCl.

Caramiphen hydrochloride Specification

  Caramiphen hydrochloride with cas registry number of 57554-34-4 is also known as 1-Phenylcyclopentanecarbothioic acid O-ester with 2-(diethylamino)etanol hydrochloride ; Cyclopentanecarbothioic acid, 1-phenyl-, O-ester with 2-(diethylamino)ethanol, hydrochloride .

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