Try beta.chemspider
- 6 of 7 defined stereocentres
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}-7,9a-dimethyldecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one ethanedioate (1:1)
C[C@@H]1CC[C@H]2C(C(=O)O[C@]23[C@H]1CC[C@@]4([C@H]3O4)C)CN5CCN(CC5)c6cccc(c6)Cl.C(=O)(C(=O)O)O
InChI=1S/C25H33ClN2O3.C2H2O4/c1-16-6-7-21-19(22(29)30-25(21)20(16)8-9-24(2)23(25)31-24)15-27-10-12-28(13-11-27)18-5-3-4-17(26)14-18;3-1(4)2(5)6/h3-5,14,16,19-21,23H,6-13,15H2,1-2H3;(H,3,4)(H,5,6)/t16-,19?,20+,21+,23-,24-,25-;/m1./s1
PQRBSCXCTZILHS-LNLNKHRISA-N
CSID:29766545, http://www.chemspider.com/Chemical-Structure.29766545.html (accessed 18:33, Jun 7, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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