VINZOLIDINE SULFATE

Molecular Formula: C48H60ClN5O13S


InChI: InChI=1/C48H58ClN5O9.H2O4S/c1-7-44(59)24-29-25-47(42(57)61-6,37-31(14-19-52(26-29)27-44)30-12-9-10-13-34(30)50-37)33-22-32-35(23-36(33)60-5)51(4)39-46(32)16-20-53-18-11-15-45(8-2,38(46)53)40(62-28(3)55)48(39)41(56)54(21-17-49)43(58)63-48;1-5(2,3)4/h9-13,15,22-23,29,38-40,50,59H,7-8,14,16-21,24-27H2,1-6H3;(H2,1,2,3,4)/t29?,38-,39+,40+,44-,45+,46+,47-,48-;/m0./s1/f/h;1-2H

InChIKey: InChIKey=LPDLEICKXUVJHW-UPVUSOBODN
SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C1(C8N6C)C(=O)N(C(=O)O1)CCCl)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

Names:
    LY 104208
    Methyl (3R,5S,7R,9S)-9-(3'-(2-chloroethyl)-6,7-didehydro-4beta-hydroxy-16-methoxy-1-methyl-2',4'-dioxo-2beta,3beta,5alpha,12beta,19alpha-spiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-2H-3,7-methanoazacycloundecino(5,4-b)indole-9-carboxylate 4'-acetate (ester) sulfate (1:1) (salt)
    Vinzolidine sulfate [USAN]
    VINZOLIDINE SULFATE
    2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 9-((2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-3'-(2-chloroethyl)-6,7-didehydro-16-methoxy-1-methyl-2',4'-dioxospiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (3R-(3R*,5S*,7R*,9S*))-, sulfate (1:1) (salt)
    67699-41-6

Registries:
    PubChem CID 49966
    PubChem ID 188518