Product Name

  • Name

    HOMATROPINE

  • EINECS 201-716-8
  • CAS No. 87-00-3
  • Density 1.21 g/cm3
  • Solubility
  • Melting Point 100ºC
  • Formula C16H21 N O3
  • Boiling Point 403.3 ºC
  • Molecular Weight 275.348
  • Flash Point 197.7 ºC
  • Transport Information
  • Appearance
  • Safety A poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 87-00-3 (HOMATROPINE)
  • Hazard Symbols Moderately toxic by ingestion and subcutaneous routes.
  • Synonyms 1aH,5aH-Tropan-3a-ol, (?à)-mandelate (ester) (8CI);Benzeneacetic acid, a-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(?à)-; (?à)-Homatropine; (?à)-Mandelic acid 1aH,5aH-tropan-3a-ylester; (?à)-Mandelyltropine; Benzeneaceticacid, a-hydroxy-,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-; Homatropin; Homatropine; Homoatropine;Mandelyltropeine; Tropine (?à)-mandelate (ester); Tropine mandelate
  • PSA 49.77000
  • LogP 1.82630

Homotropine Chemical Properties

IUPAC: (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
 Homotropine with CAS NO.of 87-00-3 is also called for (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat ; 3alpha-Tropylmandelat ; 5-21-01-00234 (Beilstein Handbook Reference) ; BRN 0087959 ; DL-Mandelsaeure-tropylester ; EINECS 201-716-8 ; Homatropin ; Mandelic acid, 3d-tropanyl ester ; Mandelyltropeine ; Mandelytropeine ; Methylhomatropinum ; Omatropina ; Omatropina [DCIT] ; Tropine, mandelate (ester) ; Tropinmandelsaeureester ; UNII-8QS6WCL55Z and so on.
CAS: 87-00-3
Molecular Formula: C16H21NO3
Molecular Weight: 275.34
EINECS: 201-716-8
ACD/LogP: 1.57  
ACD/LogD (pH 5.5): -1.52 
ACD/LogD (pH 7.4): -0.9 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 1 
ACD/KOC (pH 7.4): 1 
H bond acceptors: 4 
H bond donors: 1 
Freely Rotating Bonds: 5
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 340
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 3
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1 
Index of Refraction: 1.588 
Molar Refractivity: 76.15 cm
Molar Volume: 226.1 cm3 
Surface Tension: 51.5 dyne/cm 
Density: 1.21 g/cm3 
Flash Point: 197.7°C 
Enthalpy of Vaporization: 69.03 kJ/mol 
Boiling Point: 403.3°C at 760 mmHg 
Vapour Pressure: 3.15E-07 mmHg at 25°C 
The molecular structure of  Homotropine with CAS NO.of 87-00-3:

Homotropine Uses

 Homotropine (CAS NO.87-00-3) is used as autonomic agent and parasympatholytic.

Homotropine Toxicity Data With Reference

1.    

ipr-rat LDLo:180 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 1 (1959),156.
2.    

orl-mus LD50:1307 mg/kg

    FRXXBL    French Demande Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #2035763 .
3.    

ipr-mus LD50:370 mg/kg

    FRXXBL    French Demande Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #2035763 .
4.    

scu-mus LD50:1800 mg/kg

    FRXXBL    French Demande Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #2035763 .

Homotropine Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx.

Homotropine Specification

Removal in wastewater treatment of  Homotropine (CAS NO.87-00-3):
Total removal:1.95  percent
Total biodegradation:0.09  percent
Total sludge adsorption:1.86  percent
Total to air:0.00  percent
(using 10000 hr Bio P,A,S)

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