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Basic Information
CAS No.: 569-59-5
Name: phenindamine tartrate
Molecular Structure:
Molecular Structure of 569-59-5 (phenindamine tartrate)
Formula: C19H19N•C4H6O6
Molecular Weight: 411.45
Synonyms: phenindamine tartrate
EINECS: 209-320-7
Melting Point: 160°
Boiling Point: 416.5 °C at 760 mmHg
Flash Point: 183 °C
PSA: 118.30000
LogP: 1.73650
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Specification

The Phenindamine hydrogen tartrate with CAS registry number of 569-59-5 is also known as 1H-Indeno(2,1-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-9-phenyl-, tartrate (1:1). The IUPAC name is 2,3-Dihydroxybutanedioic acid;2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine. Its EINECS registry number is 209-320-7. In addition, the formula is C19H19N•C4H6O6 and the molecular weight is 411.45.

Physical properties about Phenindamine hydrogen tartrate are: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 20.7; (7)ACD/KOC (pH 5.5): 3.49; (8)ACD/KOC (pH 7.4): 147.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24Å2; (13)Flash Point: 183 °C; (14)Enthalpy of Vaporization: 66.98 kJ/mol; (15)Boiling Point: 416.5 °C at 760 mmHg; (16)Vapour Pressure: 3.8E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)[C@H](O)[C@@H](O)C(=O)O.c41c(\C3=C(/C1c2ccccc2)CN(CC3)C)cccc4
2. InChI: InChI=1/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
3. InChIKey: WFXURHIXPXVPGM-LREBCSMRBF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 24500ug/kg (24.5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 113, Pg. 313, 1958.
mouse LD50 intraperitoneal 88mg/kg (88mg/kg) CARDIAC: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 291, 1952.
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03034,
mouse LD50 oral 265mg/kg (265mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 291, 1952.
rabbit LD50 oral 577mg/kg (577mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 91, 1969.
rat LD50 oral 280mg/kg (280mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 91, 1969.
rat LDLo subcutaneous 200mg/kg (200mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT		 Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 144, Pg. 887, 1950.