HIT ID: HIT218833036

Cas No: 119221-49-7

分子式: C21H30Cl3N5OS

分子量: 506.92

常用名: 10-[(2-aminoethyl)amino]-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-5-ol trihydrochloride, Ledoxantrone trihydrochloride, Ledoxantrone 盐酸盐

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 10-[(2-aminoethyl)amino]-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-5-ol trihydrochloride

SMILES: Cl.Cl.Cl.CCN(CC)CCn1nc2c3c1ccc(NCCN)c3sc1cc(O)ccc21

InChI key: RNZAEKUSZHXFMR-UHFFFAOYSA-N