Basic information
- CAS
53371-79-2- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)ccc12.Cl- InChIKey
AQKPYMCBUMYZNK-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O3
- Average molar mass
- 326.82 g/mol
- Monoisotopic mass
- 326.1397203
Names & identifiers
- Preferred name
- 2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, monohydrochloride
- IUPAC
- 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
- English name
- Carteolol IMpurity H HCl
- Molecular formula
- C16H23ClN2O3
- Molecular weight
- 326.82
Names & synonyms
53371-79-25-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)-2(1H)-quinolinone monohydrochloride5-(2-Hydroxy-3-tert-butylamino)propoxycarbostyril hydrochloride2(1H)-Quinolinone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, monohydrochlorideRefChem:241434Dehydrocarteolol Hydrochloride5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride5-(3-(tert-Butylamino)-2-hydroxypropoxy)quinolin-2(1H)-one hydrochlorideDehydrocarteolol HClCarteolol EP Impurity H?62330-84-1(free base)DTXSID40968019
Show more names
Carteolol Impurity 8Carteolol IMpurity H HClCarteolol HCl EP Impurity HCarteolol EP Impurity H HClCarteolol HCl Impurity H HClCarteolol HCl EP Impurity H HClCarteolol Hydrochloride impurity HCarteolol Impurity H HydrochlorideCarteolol hydrochloride EP Impurity H5-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-quinolin
53371-79-2(HCl salt)2(1H)-Quinolinone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-, hydrochloride (1:1)5-[(2RS)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]quinolin-2(1H)-one.5-[3-(tert-Butylamino)-2-hydroxypropoxy]quinolin-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
53371-79-2- PubChem CID
- 3041045
- DTXSID
DTXSID40968019
Properties
Computed structural properties
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C16H22N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-8,11,17,19H,9-10H2,1-3H3,(H,18,20);1H
- InChIKey
- AQKPYMCBUMYZNK-UHFFFAOYSA-N
- SMILES
- Cl.N(C(C)(C)C)CC(O)COc1c2c(nc(cc2)O)ccc1
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- RTECS
- 8285000 · VC8285000
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- rtecs
- VC8285000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesDehydrocarteolol Hydrochloride is an impurity in the synthesis of Carteolol Hydrochloride (C184450), a β-adrenergic blocker. Antihypertensive; antianginal; antiarrhythmic; antiglaucoma.
Suppliers16 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…