Astin C

Astin C

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Catalog Number ACM148057232
CAS Number 148057-23-2
IUPAC Name 17,18-Dichloro-3,13-diethyl-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Molecular Weight 570.50
Molecular Formula C25H33N5O6Cl2
Canonical SMILES CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CC)C3=CC=CC=C3)CO
InChI InChI=1S/C25H33Cl2N5O6/c1-3-15-22(35)31-18(12-33)23(36)30-17(13-8-6-5-7-9-13)10-19(34)28-16(4-2)25(38)32-11-14(26)20(27)21(32)24(37)29-15/h5-9,14-18,20-21,33H,3-4,10-12H2,1-2H3,(H,28,34)(H,29,37)(H,30,36)(H,31,35)
InChI Key YWGAKIGNXGAAQR-UHFFFAOYSA-N
Purity 95%+
Storage Store in dry, low temperature, sealed, 2-8 °C.
Complexity 902
Exact Mass 569.1807892
Heavy Atom Count 38
Monoisotopic Mass 569.1807892
Topological Polar Surface Area 157Ų

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