Introduction：Basic information about CAS 20168-99-4|1H-Indole-3-aceticacid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Indole-3-aceticacid, 5-methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propen-1-yl)- |
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| CAS Number | 20168-99-4 | Molecular Weight | 349.38000 |
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| Density | 1.19g/cm3 | Boiling Point | 488ºC at 760mmHg |
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| Molecular Formula | C21H19NO4 | Melting Point | 170-172°; mp 164-165° |
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| MSDS | / | Flash Point | 248.9ºC |
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Names
| Name | cinmetacin |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.19g/cm3 |
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| Boiling Point | 488ºC at 760mmHg |
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| Melting Point | 170-172°; mp 164-165° |
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| Molecular Formula | C21H19NO4 |
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| Molecular Weight | 349.38000 |
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| Flash Point | 248.9ºC |
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| Exact Mass | 349.13100 |
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| PSA | 68.53000 |
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| LogP | 3.93900 |
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| Vapour Pressure | 2.45E-10mmHg at 25°C |
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| Index of Refraction | 1.593 |
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| InChIKey | NKPPORKKCMYYTO-DHZHZOJOSA-N |
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| SMILES | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)C=Cc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NL3523000
- CHEMICAL NAME :
- Indole-3-acetic acid, 1-cinnamoyl-5-methoxy-2-methyl-
- CAS REGISTRY NUMBER :
- 20168-99-4
- LAST UPDATED :
- 198702
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C21-H19-N-O4
- MOLECULAR WEIGHT :
- 349.41
- WISWESSER LINE NOTATION :
- T56 BNJ BV1U1R& C1 D1VQ GO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 900 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - peritonitis
- REFERENCE :
- MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 15,397,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 590 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,1690,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 685 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - peritonitis
- REFERENCE :
- MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 15,397,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 360 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 23,1690,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 540 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - peritonitis
- REFERENCE :
- MDACAP Medicamentos de Actualidad. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1965- Volume(issue)/page/year: 15,397,1979
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5-Methoxy-2-methyl-1-(1-oxo-3-phenyl-2-propenyl)-1H-indole-3-acetic acid |
| 1-cinnamoyl-5-methoxy-2-methyl-1-indole-3-acetic acid |
| 1-Cinnamoyl-5-methoxy-2-methyl-indol-3-yl-essigsaeure |
| Cindomet |
| (1-Cinnamoyl-5-methoxy-2-methyl-3-indolyl)-essigsaeure |
| cinmethacin |
| [5-methoxy-2-methyl-1-(3-phenyl-acryloyl)-indol-3-yl]-acetic acid |
| Indolacin |
| 1-(1-Oxo-3-phenyl-2-propenyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid |
