Basic information
- CAS
2854-32-2- Standard SMILES
COc1ccc2c(c1)c(CC(=O)N1CCOCC1)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
BJSDNVVWJYDOLK-UHFFFAOYSA-N- Molecular formula
- C23H23ClN2O4
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.1346349
Overview
2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-(4-morpholinyl)ethanone is a N-acylindole.
Names & identifiers
- Preferred name
- Indomethacin Morpholinylamide
- IUPAC
- 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone
- English name
- BML-190
- Molecular formula
- C23H23ClN2O4
- Molecular weight
- 426.89
Names & synonyms
Indomethacin morpholinylamideBML190RefChem:923423BML-1902-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanoneLopac-I-151MFCD01317813CHEMBL72631Ethanone, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)-HMS3651P17BDBM500908062-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone
Show more names
IMMABML-190 ，S2854BML-190 USP/EP/BPBML 190BML-190, 10 mM in DMSOIndomethacin Morpholinylamide ImpurityBML-190 (Indomethacin morpholinylamide
2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethan-1-oneEN300-18118631SR-01000075946-1C23H23ClN2O4SR-01000075946Bio2_000763Tocris-1383Indomethacin morpholinamide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Melting point
- 162 · 162.0-163.5 °C
- Boiling point
- 586.7 · 586.7±50.0 °C(Predicted)
- Density
- 1.31 · 1.31
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 20 mg/mL · DMSO: >20mg/mL
- form
- solid
- pka
- -0.97 · -0.97±0.20(Predicted)
- color
- off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- Toxicity
- 40 mg/kg · rat,LDLo,oral,40mg/kg (40mg/kg),Bollettino Chimico Farmaceutico. Vol. 114, Pg. 309, 1975.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Toxicity
- rat,LDLo,oral,40mg/kg (40mg/kg),Bollettino Chimico Farmaceutico. Vol. 114, Pg. 309, 1975.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBML-190, is a selective cannabinoid CB2 receptor, and it is also used for treatment of organophosphate and carbamate toxicity.
Suppliers73 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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