Basic information
- CAS
18559-59-6- Standard SMILES
COc1cc(CC2NCCc3cc(O)c(O)cc32)cc(OC)c1OC.Cl- InChIKey
UHSXRTHJCJGEKG-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO5
- Average molar mass
- 381.8 g/mol
- Monoisotopic mass
- 381.1343006
Overview
See also: Trimethoquinol (annotation moved to).
Names & identifiers
- Preferred name
- 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-((3,4,5-trimethoxyphenyl)methyl)-, hydrochloride (1:1)
- IUPAC
- 1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
- English name
- (S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride
- Molecular formula
- C19H24ClNO5
- Molecular weight
- 381.85
Names & synonyms
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE (1:1)RefChem:107361418559-63-2Trimetoquinol(+/-)-TRIMETOQUINOL HYDROCHLORIDETrimetoquinol-hydrochlorideAQL 208Trikvinol (triquinol) hydrochloride100GVI988J(S)-1,2,3,4-Tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride(-)-Trimethoquinol1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Show more names
S-(-)-Tretoquinol HydrochlorideVemsInolinBentomexTriquinolNSC 288748TRETOQUINOLHCLTrimethoquinoll-Trimetoquinol
(-)-Trimetoquinol; AQL 208; Bentomex; Inolin; NSC 288748CHEMBL542101SCHEMBL1630263SCHEMBL30537714(+/-)-tretoquinol hydrochlorideDTXSID00931229DL-TRIMETOQUINOL HYDROCHLORIDENSC288748
Properties
Computed structural properties
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 137 · 137 - 145°C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Light Beige to Dark Beige
- Stability
- Hygroscopic
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 298 SP836N4 · 298SP836N4
Chemistry & industry
Applications
UsesS-(-)-Tretoquinol belongs to the class of adrenergic inhalants, selective β-2-adrenoreceptor agonists. S-(-)-Tretoquinol is used in the treatment of obstructive airway diseases. S-(-)-Tretoquinol is a bronchodilator.
Suppliers9 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
2 records
Compound notes
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