U-73343 CAS NO.142878-12-4

1. Introduction ofU-73343

The U-73343, with its CAS NO142878-12-4, is a kind oflittle yellow powd…

 1. Introduction of U-73343

 

The U-73343, with its CAS NO 142878-12-4, is a kind of little yellow powder. It has synonyms of 2,5-Pyrrolidinedione,1-[6-[[(17b)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]- and Estrane,2,5-pyrrolidinedione deriv. U-73343 should be stored in shady and cool warehouse.

 

2. Properties of U-73343

 

(1) XLogP3 3.6 (2) H-Bond Donor 1 (3) H-Bond Acceptor 4
(4) Rotatable Bond Count 9  (5) Tautomer Count 3 (6) Exact Mass 466.319543
(7) MonoIsotopic Mass 466.319543 (8) Topological Polar Surface Area 58.6
(9) Heavy Atom Count 34 (10) Complexity 725 (11) Undefined Atom Stereocenter Count 5
(12) Covalently-Bonded Unit Count 1 (13) Feature 3D Acceptor Count 3
(14) Feature 3D Donor Count 1 (15) Feature 3D Cation Count 1 (16) Feature 3D Hydrophobe Count 1
(17) Feature 3D Ring Count 5 (18) Effective Rotor Count 11
(19) Conformer Sampling RMSD 1.8 (20) CID Conformer Count 51
 

 

3.Structure descriptors of U-73343

 

IUPAC Name: 1-[6-[(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,
17-decahydrocyclopenta[a]phenanthren-17-yl)amino]hexyl]pyrrolidine-2,
5-dione

InChI: InChI=1S/C29H42N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25
(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,19,23-26,
30H,3-7,9,11-18H2,1-2H3

InChIKey: CJHWFIUASFBCKN-UHFFFAOYSA-N

Canonical SMILES : CC12CCC3C(C1CCC2NCCCCCCN4C(=O)CCC4=O)CCC5=C3C=CC(=C5)OC