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| CAS No.: | 3505-38-2 |
|---|---|
| Name: | CARBINOXAMINE MALEATE SALT |
| Molecular Structure: | |
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| Formula: | C16H19ClN2O.C4H4O4 |
| Molecular Weight: | 406.866 |
| Synonyms: | 2-[p-Chloro-α-[2-(dimethylamino)ethoxy]benzyl]pyridine bimaleate;Lergefin;N-[2-[(4-Chlorophenyl)(2-pyridinyl)methoxy]ethyl]-N,N-dimethylamine maleate salt;Clistin maleate;p-Carbinoxamine maleate;Pyridine, 2-[p-chloro-.alpha.-[2- (dimethylamino)ethoxy]benzyl]-, maleate (1:1);Clistin;Allergefon maleate;Prestwick_238;Clistine Maleate;Ethanamine, 2-[(4-chlorophenyl)-2-pyridinylmethoxy]-N,N-dimethyl-, (2Z)-2-butenedioate (1:1);Ciberon;Paracarbinoxamine maleate;but-2-enedioic acid; 2-[(4-chlorophenyl)-pyridin-2-yl-methoxy]-N,N-dimethyl-ethanamine; |
| EINECS: | 222-498-0 |
| Melting Point: | 117-119 °C |
| Boiling Point: | 579.1 °C at 760 mmHg |
| Flash Point: | 304 °C |
| Solubility: | Completely soluble in water |
| Appearance: | Off-white solid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3249 |
| PSA: | 99.96000 |
| LogP: | 3.11440 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Carbinoxamine maleate, with the CAS registry number 3505-38-2, is also known as Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethoxy]benzyl]-, maleate (1:1). It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Alphabetic; CA - CG Forensic and Veterinary Standards; Drugs & Metabolites; Neat Compounds; Aromatics; Heterocycles. Its EINECS number is 222-498-0. This chemical's molecular formula is C16H19ClN2O·C4H4O4 and molecular weight is 406.86. What's more, its systematic name is but-2-enedioic acid; 2-[(4-chlorophenyl)-(2-pyridyl)methoxy]-N,N-dimethyl-ethanamine. Its classification codes are: (1)Antihistaminic; (2)Drug / Therapeutic Agent; (3)Human Data. It has been used as an analgesic and an anti-inflammatory compound.
Physical properties of Carbinoxamine maleate are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 99.96 Å2; (7)Flash Point: 304 °C; (8)Enthalpy of Vaporization: 91.15 kJ/mol; (9)Boiling Point: 579.1 °C at 760 mmHg; (10)Vapour Pressure: 2.98E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2
(2)Std. InChI: InChI=1S/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)
(3)Std. InChIKey: GVNWHCVWDRNXAZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | TDLo | oral | 1880ug/kg/4D- (1.88mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: EXCITEMENT | Journal of Toxicology, Clinical Toxicology. Vol. 25, Pg. 161, 1987. |
| dog | LDLo | intravenous | 36mg/kg (36mg/kg) | Compilation of LD50 Values of New Drugs. | |
| guinea pig | LD50 | oral | 411mg/kg (411mg/kg) | Compilation of LD50 Values of New Drugs. | |
| guinea pig | LD50 | subcutaneous | 120mg/kg (120mg/kg) | Annales Pharmaceutiques Francaises. Vol. 20, Pg. 463, 1962. | |
| mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 367, 1968. | |
| mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | Compilation of LD50 Values of New Drugs. | |
| mouse | LD50 | oral | 162mg/kg (162mg/kg) | Compilation of LD50 Values of New Drugs. | |
| mouse | LD50 | subcutaneous | 350mg/kg (350mg/kg) | Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 367, 1968. |