Basic information
- CAS
65184-10-3- Standard SMILES
Cc1cc2c(OCC(O)CNC(C)CCn3cnc4c3c(=O)n(C)c(=O)n4C)cccc2[nH]1- InChIKey
HITMZSXZYGLDCV-UHFFFAOYSA-N- Molecular formula
- C23H30N6O4
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.23285346
Names & identifiers
- Preferred name
- 3,7-Dihydro-7-(3-((2-hydroxy-3-((2-methyl-1H-indol-4-yl)oxy)propyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6-dione
- IUPAC
- 7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
- English name
- teoprolol
- Molecular formula
- C23H30N6O4
- Molecular weight
- 454.5221
Names & synonyms
Teoprolol65184-10-3TeoprololumSFG2498J1URefChem:1066141265-600-93,7-Dihydro-7-(3-((2-hydroxy-3-((2-methyl-1H-indol-4-yl)oxy)propyl)amino)butyl)-1,3-dimethyl-1H-purine-2,6-dioneTeoprolol [INN]7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethylpurine-2,6-dioneTeoprololum [INN-Latin]EINECS 265-600-9BRN 1234202
Show more names
7-[3-[[2-Hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione3,7-Dihydro-7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-7-[3-[[2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]amino]butyl]-1,3-dimethyl-
UNII-SFG2498J1UD-13312D-13,3127-(3-((2-Hydroxy-3-((2-methylindol-4-yl)oxy)propyl)amino)butyl)theophyllineorb1708384SCHEMBL1254582CHEMBL1742456SCHEMBL30171173
Database identifiers
- CAS
65184-10-3- PubChem CID
- 68852
- DTXSID
DTXSID10867126- ChEMBL
CHEMBL1742456- UNII
- SFG2498J1U
- EC Number
- 265-600-9
- Nikkaji
- J20.164B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Melting point
- 146 °C · 146°C
- Boiling point
- 561.32 °C · 561.32°C (rough estimate)
- Density
- 1.2531 · 1.2531 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 13.92 · 13.92±0.20(Predicted)
- FDA UNII
- 2498 J1U · SFG2498J1U
Chemistry & industry
Applications
UsesTeoprolol is a β-adrenergic receptor blocker.
Suppliers6 total
銳迪國際科技有限公司18024082417 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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