Basic information
- CAS
42050-23-7- Standard SMILES
CC(C)(C)NCC(O)COc1ccc(O)c2c1C1CCC2CC1- InChIKey
GEVXLKYQQIKELK-UHFFFAOYSA-N- Molecular formula
- C19H29NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.21474379
Names & identifiers
- Preferred name
- Nafetolol
- IUPAC
- 6-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol
- English name
- Nafetolol
- Molecular formula
- C19H29NO3
- Molecular weight
- 0
Names & synonyms
Nafetolol42050-23-7Nafetolol [INN]NafetololumUNII-MAL2XF17MPNafetololum [INN-Latin]MAL2XF17MP1-(tert-Butylamino)-3-((1,2,3,4-tetrahydro-8-hydroxy-1,4-ethanonaphthalen-5-yl)oxy)-2-propanolNafetololum (INN-Latin)RefChem:1644016-[3-(tert-butylamino)-2-hydroxypropoxy]tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-3-ol1,4-Ethanonaphthalen-5-ol, 8-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-,
Show more names
1-(tert-Butylamino)-3-[(1,2,3,4-tetrahydro-8-hydroxy-1,4-ethanonaphthalen-5-yl)oxy]-2-propanol
K 5407orb1741515SCHEMBL1254734CHEMBL1742445DTXSID90866071AKOS040753205TS-08763HY-118770
Database identifiers
- CAS
42050-23-7- PubChem CID
- 68668
- DTXSID
DTXSID90866071- ChEMBL
CHEMBL1742445- UNII
- MAL2XF17MP
- Nikkaji
- J16.445C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- form
- Solid
- color
- White to off-white
- FDA UNII
- 2 XF17MP · MAL2XF17MP
Chemistry & industry
Applications
UsesNafetolol (K 5407), specifically effective on cardiac (β1)-adrenoceptors, is an orally active β blocking agent, with a t1/2 of ~ 2 h in dogs[1].
Suppliers5 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [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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