Etrenol

diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium;methanesulfonate

Also Known As: Etrenol|Hycanthone mesylate|Hycanthone methanesulfonate|Hycanthone methanesulphonate|AC1L1MAE|CCRIS 333|Hycanthone monomethanesulfonate|Hycanthone monomethanesulphonate|HSDB 7094|Hycanthone methanesulfonate (VAN)|EINECS 245-527-9|48830NW22A|AI3-61987|9H-Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, monomethanesulfonate (salt)|diethyl-[2-[[4-(hydroxymethyl)-9-oxothioxanthen-1-yl]amino]ethyl]azanium; methanesulfonate|N-(2-(Diethylamino)ethyl)-4-methoxy-9-oxoxanthene-1-amine monomethanesulphonate|N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulphonate|9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-, monomethanesulfonate (salt)|N,N-Diethyl-2-{[4-(hydroxymethyl)-9-oxo-9H-thioxanthen-1-yl]amino}ethan-1-aminium methanesulfonate|Thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, monomethanesulfonate (salt)|Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-, monomethanesulfonate (salt)

Molecular Formula	C21H28N2O5S2
Molecular Weight	452.14395 g/mol
LogP	1.41
Topological Polar Surface Area	110.97 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	452.14395
Heavy Atoms	30
Complexity	1147.2

Chemical Identifiers

CAS Number	23255-93-8
SMILES	CC[NH+](CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)[O-]