Basic information
- CAS
13379-86-7- Standard SMILES
CSc1ccccc1OCC(O)CNC(C)C- InChIKey
CSUNLSYSEQIDMO-UHFFFAOYSA-N- Molecular formula
- C13H21NO2S
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.12930009
Overview
RN given refers to parent cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- Tiprenolol
- IUPAC
- 1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol
- English name
- Tiprenolol
- Molecular formula
- C13H21NO2S
- Molecular weight
- 255.38
Names & synonyms
Tiprenolol26481-51-6R86K1U4O7JDTXSID609282711-Isopropylamino-3-(2-methylthiophenoxy)propan-2-oltiprenololumRefChem:190111DTXCID8013570421-[2-(methylsulfanyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol13379-86-7DU 21445
Show more names
Tiprenolol, 10 mM in DMSO2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(methylthio)phenoxy]-
dl-TiprenololTiprenolol [INN:BAN]UNII-R86K1U4O7JDU21445TIPRENOLOL [INN]SCHEMBL146270orb13021991-(Isopropylamino)-3-(2-methylthiophenoxy)propan-2-ol
Database identifiers
- CAS
13379-86-7、26481-51-6- PubChem CID
- 38353
- DTXSID
DTXSID60928271- ChEMBL
CHEMBL2111163- UNII
- R86K1U4O7J
- EC Number
- 963-581-8
- Nikkaji
- J215.884A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 87.5 · 87.5-90.5 °C
- Boiling point
- 407.8 · 407.8±40.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.20(Predicted)
- FDA UNII
- 86 K1U4O7J · R86K1U4O7J
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesTiprenolol is a β-adrenoceptor blocker. Tiprenolol can abolish the ventricular arrhythmias produced by adrenaline in dogs respired with halothane[1].
Suppliers6 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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