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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzazepine > 5-[4-[bis(2-chloroethyl)amino]phenyl]-8-bromo-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzazepine > 5-[4-[bis(2-chloroethyl)amino]phenyl]-8-bromo-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

Preferred term

5-[4-[bis(2-chloroethyl)amino]phenyl]-8-bromo-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol  

Type

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

Broader concept

charge

  • 0

formula

  • C21H25BrCl2N2O

inchi

  • InChI=1S/C21H25BrCl2N2O/c1-25-9-6-16-12-20(22)21(27)13-18(16)19(14-25)15-2-4-17(5-3-15)26(10-7-23)11-8-24/h2-5,12-13,19,27H,6-11,14H2,1H3

inchikey

  • VGJKDQPCCSDBJN-UHFFFAOYSA-N

mass

  • 472.246

monoisotopicmass

  • 470.05273

smiles

  • CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)N(CCCl)CCCl)O)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125367

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