Benzoic acid,2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-[(2-thienylcarbonyl)amino]-,ethyl ester

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Catalog Number
ACM90055973
Product Name
Benzoic acid,2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-[(2-thienylcarbonyl)amino]-,ethyl ester
Structure
Structure
CAS
90055-97-3
Category
Heterocyclic Organic Compound
Synonyms
Tienoxololum; Tienoxolol; Tienoxololum [Latin]; ethyl 2-<3-<(1,1-dimethylethyl)amino>-2-hydroxypropoxy>-5-<(2-thienylcarbonyl)amino>benzoate; (+-)-Ethyl 2-(3-(tert-butylamino)-2-hydroxypropoxy)-5-(2-thiophenecarboxamido)benzoate;
IUPAC Name
ethyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate
Molecular Weight
420.522 g/mol
Molecular Formula
C21H28N2O5S
Canonical SMILES
CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)OCC(CNC(C)(C)C)O
InChI Key
PHMRLCQEIQGCHH-UHFFFAOYSA-N
Boiling Point
524.4ºC at 760mmHg
Flash Point
270.9ºC
Density
1.229g/cm³
Exact Mass
420.17200
H-Bond Acceptor
6
H-Bond Donor
3
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