CAS No.87-00-3,HOMATROPINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	87-00-3
Name:	HOMATROPINE

Formula:	C16H21 N O3
Molecular Weight:	275.348
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
EINECS:	201-716-8
Density:	1.21 g/cm³
Melting Point:	100ºC
Boiling Point:	403.3 ºC
Flash Point:	197.7 ºC
Hazard Symbols:	Moderately toxic by ingestion and subcutaneous routes.
Safety:	A poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic vapors of NO_x.
PSA:	49.77000
LogP:	1.82630

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Chemistry

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 cm³
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:

Uses

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

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 .

Safety Profile

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

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)