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| CAS No.: | 53902-12-8 |
|---|---|
| Name: | Tranilast |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C18H17NO5 |
| Molecular Weight: | 327.337 |
| Synonyms: | Anthranilic acid, N-(3,4-dimethoxycinnamoyl)-;N-(3,4-Dimethoxycinnamoyl)anthranilic acid;MK 341; |
| Density: | 1.299 g/cm3 |
| Melting Point: | 166-168 °C |
| Boiling Point: | 585.6 °C at 760 mmHg |
| Flash Point: | 307.9 °C |
| Solubility: | 18 mg/mL in DMSO |
| Appearance: | white with light yellow crystalline powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22 |
| Safety: | 26-36 |
| PSA: | 84.86000 |
| LogP: | 3.12690 |
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Specification
The IUPAC name of Tranilast is 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid. With the CAS registry number 53902-12-8, it is also named as Anthranilic acid, N-(3,4-dimethoxycinnamoyl)-. The product's categories are Angiotensin; Angiogenesis and Metastasis. Besides, it is white with light yellow crystalline powder, which should be stored in sealed container at 2-8 °C.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 15.91; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 73.76; (8)ACD/KOC (pH 7.4): 4.84; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 6; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 91.63 cm3; (14)Molar Volume: 251.9 cm3; (15)Surface Tension: 54.6 dyne/cm; (16)Density: 1.299 g/cm3; (17)Flash Point: 307.9 °C; (18)Melting point: 166-168 °C; (19)solubility: 18 mg/mL in DMSO; (20)Enthalpy of Vaporization: 92 kJ/mol; (21)Boiling Point: 585.6 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-14 mmHg at 25 °C.
Preparation of Tranilast: this chemical can be prepared by O-amino benzoic acid (Ⅰ) and compound (Ⅱ).
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Uses of Tranilast: this chemical is an antiallergic drug which is used for the treatment of allergic disorders such as asthma, allergic rhinitis and atopic dermatitis. It is a potent inhibitor of homologous passive cutaneous anaphylaxis.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. You should wear suitable protective clothing when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)c1ccccc1NC(=O)\C=C\c2cc(OC)c(OC)cc2
(2)InChI:InChI=1/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
(3)InChIKey:NZHGWWWHIYHZNX-CSKARUKUBP
(4)Std. InChI:InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+
(5)Std. InChIKey:NZHGWWWHIYHZNX-CSKARUKUSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 660mg/kg (660mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
| mouse | LD50 | intraperitoneal | 385mg/kg (385mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 503, 1980. | |
| mouse | LD50 | oral | 680mg/kg (680mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 19, Pg. 503, 1980. | |
| mouse | LD50 | subcutaneous | 2630mg/kg (2630mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 385, 1976. |
| rabbit | LD50 | oral | 2625mg/kg (2625mg/kg) | "Modern Pharmaceuticals of Japan, IV," Tokyo, Japan Pharmaceutical, Medical and Dental Supply Exporters' Assoc., 1972Vol. -, Pg. 81, 1972. | |
| rat | LD50 | intraperitoneal | 395mg/kg (395mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 385, 1976. |
| rat | LD50 | oral | 1100mg/kg (1100mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 385, 1976. |
| rat | LD50 | subcutaneous | 3060mg/kg (3060mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 385, 1976. |