ChemicalBook--->CAS DataBase List--->56796-66-8

56796-66-8

56796-66-8 Structure

56796-66-8 Structure
IdentificationBack Directory
[Name]

4-Benzyl Albuterol
[CAS]

56796-66-8
[Synonyms]

Einecs 260-385-8
4-Benzyl Albuterol
Salbutamol EP Imp I
albutamol EP Impurity I
Albuterol EP Impurity I
O-BENZYL SALBUTAMOL(OBS)
Salbutamol EP Impurity I
Salbutamol Sulfate BP Impurity I
Salbutamol EP Impurity I (4-Benzyl Albuterol)
Salbutamol Impurity 1(Salbutamol EP Impurity I)
4-((BENZYLOXY)-ALPHA-(TERT-BUTYLAMINO)METHYL)-M-XYLENE-ALPHA
4-(benzyloxy)-α-[[tert-butylamino]methyl]-m-xylene-α,α'-diol
2-tert-Butylamino-1-[3-(hydroxymethyl)-4-benzyloxyphenyl]ethanol
1-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(tert-butylamino)ethanol
4-(BENZYLOXY)-ALPHA1-[(TERT-BUTYLAMINO)METHYL]BENZENE-1,3-DIMETHANOL
2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
4-(benzyloxy)-alpha-[[tert-butylamino]methyl]-m-xylene-alpha,alpha'-diol
4-(Benzyloxy)-ALPHA-[(tert-butylamino)-methyl]-m-xylene- ALPHA,ALPHA''-di
α1-[[(1,1-DiMethylethyl)aMino]Methyl]-4-(phenylMethoxy)-1,3-benzenediMethanol
a1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-(phenylmethoxy)-
3-(Hydroxymethyl)-α-[[(1,1-dimethylethyl)amino]methyl]-4-(phenylmethoxy)benzenemethanol
Salbutamol [-Alpha[ (Tert-Butylamino) Methyl)-4-Benzyloxy Sulphate 1,3-Benzene Dimethanol]
Imp. I (EP):(1RS)-2-[(1,1-Dimethylethyl)amino]-1-[4-(benzyloxy)-3-(hydroxymethyl)phenyl]ethanol
Salbutamol impurity 8/Salbutamol EP Impurity I/4-Benzyl Albuterol/1-(4-Benzyloxy-3-hydroxymethyl-phenyl)-2-(tert-butylamino)ethanol
[EINECS(EC#)]

260-385-8
[Molecular Formula]

C20H27NO3
[MDL Number]

MFCD00026273
[MOL File]

56796-66-8.mol
[Molecular Weight]

329.43
Chemical PropertiesBack Directory
[Boiling point ]

510.1±50.0 °C(Predicted)
[density ]

1.120±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: Sparingly soluble: 1-10 mg/ml
Ethanol: Slightly soluble: 0.1-1 mg/ml
[form ]

neat
[pka]

13.97±0.20(Predicted)
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3
[InChIKey]

ICDQPCBDGAHBGG-UHFFFAOYSA-N
[SMILES]

C1(OCC2C=CC=CC=2)=CC=C(C(O)CNC(C)(C)C)C=C1CO
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315
[Precautionary statements ]

P264-P270-P280-P301+P312+P330-P332+P313-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

4-Benzyl Albuterol is used as the Salbutamol precursor. Impurity of Rosiglitazone Maleate Imp A (Pharmeuropa).
[References]

[1] R P BAKALE. Albuterol. A pharmaceutical chemistry review of R-, S-, and RS-albuterol.[J]. Clinical Reviews in Allergy & Immunology, 1996, 14 1: 7-35. DOI: 10.1007/bf02772200
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