Basic information
- CAS
146574-43-8- Standard SMILES
COc1ccccc1OCCNCC(O)COc1c(O)ccc2[nH]c3ccccc3c12- InChIKey
RWDSIYCVHJZURY-UHFFFAOYSA-N- Molecular formula
- C24H26N2O5
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.18417193
Overview
a carvedilol metabolite; structure given in first source
Names & identifiers
- Preferred name
- SB 211475
- IUPAC
- 4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol
- English name
- SB 211475
- Molecular formula
- C24H26N2O5
- Molecular weight
- 422.47
Names & synonyms
146574-43-8SB 211475SB-211475RefChem:1815473-Hydroxy Carvedilol4-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-9H-carbazol-3-ol4-[2-Hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy]-9H-carbazol-3-ol(4-(2-hydroxy-3-((2-(2-methoxy-phenoxy)ethyl)amino)propoxyl)-9H-carbazol-3-ol)9H-Carbazol-3-ol, 4-(2-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propoxy)-, (+-)-4-(2-HYDROXY-3-{[2-(2-METHOXYPHENOXY)ETHYL]AMINO}PROPOXY)-9H-CARBAZOL-3-OLBM 910228DTXSID20932859
Show more names
4-[2-Hydroxy-3-[[2-(2-Methoxyphenoxy)ethyl]aMino]propoxy]-Carvedilol Metabolite SB 211475 (BM-910228, 3-Hydroxy Carvedilol)9H-Carbazol-3-ol, 4-[2-hydroxy-3-[[2-(2-methoxyphenoxy)ethyl]amino]propoxy]-
3-HydroxycarvedilolR5BNA5NA5Borb1986861SCHEMBL8587275CHEMBL3741650AKOS040749414CS-0079087T28675
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 538
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Carvedilol
Physicochemical properties
- Boiling point
- 702 · 702.0±60.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.95 · 9.95±0.30(Predicted)
- form
- Solid
- color
- Beige to Brown
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesA vascularly inactive metabolite of Carvedilol (C184625). A novel antihypertensive agent, is a potent antioxidant.
Suppliers15 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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