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Tolamolol
[CAS 38103-61-6]

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Identification
Name Tolamolol
Synonyms Tolamolol; Tolamolol [Usan:Ban:Inn]; Tolamololum [Inn-Latin]
Molecular Structure CAS#: 38103-61-6, Tolamolol
Molecular Formula C19H24N2O4
Molecular Weight 344.41
CAS Registry Number 38103-61-6
EINECS 253-783-8
SMILES C1=CC=CC(=C1OCC(CNCCOC2=CC=C(C=C2)C(N)=O)O)C
InChI 1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)
InChIKey SKQDKFOTIPJUSV-UHFFFAOYSA-N
Properties
Density 1.19g/cm3 (Cal.)
Boiling point 595.204°C at 760 mmHg (Cal.)
Flash point 313.768°C (Cal.)
References
(1) Franco Lombardo, R. Scott Obach, Marina Y. Shalaeva, and Feng Gao. Prediction of Human Volume of Distribution Values for Neutral and Basic Drugs. 2. Extended Data Set and Leave-Class-Out Statistics, J. Med. Chem., 2004, 47(5), 1242-1250
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