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Concept information

Preferred term

هکتوکلرین B  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C25H32Cl2N2O8S2

inchi

  • InChI=1S/C25H32Cl2N2O8S2/c1-12-15(8-7-9-25(6,26)27)35-21(32)13-10-38-18(28-13)16(30)24(4,5)37-22(33)14-11-39-19(29-14)17(23(2,3)34)36-20(12)31/h10-12,15-17,30,34H,7-9H2,1-6H3

inchikey

  • VZEAHVQDYHOSRG-UHFFFAOYSA-N

mass

  • 623.560

monoisotopicmass

  • 622.09771

smiles

  • ClC(Cl)(CCCC1OC(=O)C=2N=C(C(O)C(OC(C=3N=C(C(OC(C1C)=O)C(O)(C)C)SC3)=O)(C)C)SC2)C

subset

  • 2_STAR

synonym EXACT

  • 12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxypropan-2-yl)-4,4,13-trimethyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.16,9]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227685

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