Basic information
- CAS
115066-03-0- Standard SMILES
CCc1cccc2c3c([nH]c12)C(C)(CC)OCC3- InChIKey
IYMCQNNWNNRAQH-UHFFFAOYSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Names & identifiers
- Preferred name
- 1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
- IUPAC
- 1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
- English name
- RAK 802
- Molecular formula
- C16H21NO
- Molecular weight
- 243.34
Names & synonyms
1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano(3,4-b)indoleRefChem:417897972-715-4115066-03-0Decarboxy EtodolacEtodolac EP Impurity JRAK-8021,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole1,8-Diethyl-1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole4J2J13T0DI1,8-Diethyl-1-methyl-1,3,4,9-tetrahydropyrano(3,4-b)indole
Show more names
Etodolac impurity JEtodolac Impurity 10Etoronic acid EP impurity J(1RS)-1,8-Diethyl-1-methyl-1,3,4,9-Etodolac Impurity J (Decarboxy Etodolac)Etodolac EP Impurity J (Decarboxy Etodolac)Etodolac Impurity 10 （Etodolac EP Impurity J)
Pyrano(3,4-b)indole, 1,8-diethyl-1,3,4,9-tetrahydro-1-methyl-CCRIS 54071,8-Diethyl-1,3,4,9-tetrahydro-1-methylpyrano[3,4-b]indole(1RS)-1,8-Diethyl-1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (Decarboxy Etodolac)1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indoleDecarboxyEtodolacRAK 802(1RS)-1,8-Diethyl-1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole; Etodolac Imp. J (EP); Decarboxy Etodolac; Etodolac Impurity J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 390.2 · 390.2±37.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 17.39 · 17.39±0.40(Predicted)
- color
- White to Yellow
- FDA UNII
- 4 J2J13T0DI · 4J2J13T0DI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDecarboxy Etodolac (Etodolac EP Impurity J) is an impurity of Etodolac (racemic, E933100), which is a non-steroidal anti-inflammatory drug (NSAID) that selectively inhibits cyclooxygenase-2 (COX-2). Etodolac displays anti-inflammatory effects in both adjuvant arthritic and normal rats. Etodolac is anti-inflammatory.
Suppliers17 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…