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CAS No.: | 1176-08-5 |
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Name: | Phenyltoloxamine citrate |
Molecular Structure: | |
Formula: | C17H21NO.C6H8O7 |
Molecular Weight: | 447.485 |
Synonyms: | Phenyltoloxamine dihydrogen citrate;Kutrase;Phenoxadrine citrate;Ethylamine, N, N-dimethyl-2-[ (.alpha.-phenyl-o-tolyl)oxy]-, citrate (1:1);Ethanamine, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Phenoxadrin citrate;Mobigesic;Ethanamine,N,N-dimethyl-2-[2-(phenylmethyl) phenoxy]-,2-hydroxy-1,2,3- propanetricarboxylate (1:1);2-(2-benzylphenoxy)ethyl-dimethyl-azanium; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate;Floxamine; |
EINECS: | 214-644-7 |
Melting Point: | 188-190?°C(lit.) |
Boiling Point: | 359.2 °C at 760 mmHg |
Flash Point: | 106 °C |
Appearance: | White powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 36 |
PSA: | 144.60000 |
LogP: | 1.96930 |
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Molecular Formula: C17H21NO.C6H8O7
Molar mass: 447.48 g/mol
EINECS: 214-644-7
Flash Point: 106 °C
Boiling Point: 359.2 °C at 760 mmHg
Vapour Pressure: 2.42E-05 mmHg at 25°C
Structure of Phenyltoloxamine citrate (CAS NO.1176-08-5):
H-Bond Donor: 4
H-Bond Acceptor: 9
IUPAC Name of Phenyltoloxamine citrate (CAS NO.1176-08-5): 2-(2-Benzylphenoxy)-N,N-dimethylethanamine ; 2-Hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES: CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: ZZYHCCDMBJTROG-UHFFFAOYSA-N
1. | orl-rat LD50:1472 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1959),42. | ||
2. | ipr-mus LD50:246 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 42 (1953),587. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes of Phenyltoloxamine citrate (CAS NO.1176-08-5): Xn
Risk Statements:
R22:Harmful if swallowed.
Safety Statements:
S36:Wear suitable protective clothing.
Phenyltoloxamine citrate ,its cas register number is 1176-08-5. It also can be called Ethanamine, N,N-dimethyl-2-[2- (phenylmethyl)phenoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) ; Floxamine ; N,N-Dimethyl-2-(alpha-phenyl-o-toloxy)ethylamine dihydrogen citrate ; N,N-Dimethyl-2-(.alpha.-phenyl-o-toloxy)ethylamine dihydrogen citrate ; Phenoxadrine citrate and N,N-Dimethyl-2-(a-phenyl-o-toloxy)ethylamine Citrate (1:1) .