Basic information
- CAS
19179-78-3- Standard SMILES
Cc1cccc(C)c1C(OCC(O)CNC(C)C)c1c(C)cccc1C- InChIKey
NCDUZGLNHCZFNZ-UHFFFAOYSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Overview
RN given refers to parent cpd; synonym BS-7977-D refers to HCl; structure
Names & identifiers
- Preferred name
- Xipranolol
- IUPAC
- 1-[bis(2,6-dimethylphenyl)methoxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- Xipranolol
- Molecular formula
- C23H33NO2
- Molecular weight
- 355.51
Names & synonyms
Xipranolol19179-78-3XipranololumXipranololoZJI41P5WMH1-(Di-2,6-xylylmethoxy)-3-(isopropylamino)-2-propanolBS-7977D DIHYDROCHLORIDE2-Propanol, 1-(di-2,6-xylylmethoxy)-3-(isopropylamino)-RefChem:195368Xipranolol [INN]Xipranololo [DCIT]UNII-ZJI41P5WMH
Show more names
1-[Bis(2,6-dimethylphenyl)methoxy]-3-(isopropylamino)-2-propanol2-Propanol, 1-[bis(2,6-dimethylphenyl)methoxy]-3-[(1-methylethyl)amino]-
Xipranololum [INN-Latin]1-[bis(2,6-dimethylphenyl)methoxy]-3-(propan-2-ylamino)propan-2-olBS 7977 D [as dihydrochloride]2-Propanol, 1-(bis(2,6-dimethylphenyl)methoxy)-3-((1-methylethyl)amino)-orb1694808SCHEMBL1254753CHEMBL2104508DTXSID30864874
Database identifiers
- CAS
19179-78-3- PubChem CID
- 65692
- DTXSID
DTXSID30864874- ChEMBL
CHEMBL2104508- UNII
- ZJI41P5WMH
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 505 · 505.0±50.0 °C(Predicted)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.20(Predicted)
- FDA UNII
- 41 P5WMH · ZJI41P5WMH
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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