Ketcher 05082416452D 1   1.00000     0.00000     0

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 13  8  1  0     0  0
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 29 27  1  0     0  0
M  END
> <ID>
CHEBI:231359

> <NAME>
RS 17053 hydrochloride

> <STAR>
2

> <SYNONYM>
RS 17053

> <FORMULA>
C24H29ClN2O2.ClH

> <MASS>
449.420

> <MONOISOTOPIC_MASS>
448.16843

> <CHARGE>
0

> <SMILES>
CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4.Cl

> <INCHI>
InChI=1S/C24H29ClN2O2.ClH/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17;/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3;1H

> <INCHIKEY>
QFOPFGRPNPCPBX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
169505-93-5

$$$$