NSC45023

Molecular Formula: C44H64N2O6S


InChI: InChI=1/C24H40O5.C20H24N2OS/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);6-11,21H,4-5,12-13H2,1-3H3/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1/f/h28H;

InChIKey: InChIKey=MKJXZZFFQUPMPB-BIOJVHSHDY
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Names:
    NSC45023
    Thioxanthen-9-one, 1-(2-diethylaminoethylamino)-4-methyl-, salt with cholic acid
    1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; (4R)-4-[(3R,5S,7R,8S,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Registries:
    PubChem CID 239671
    PubChem ID 98961