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Concept information

Preferred term

malbrancheamide b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24ClN3O

inchi

  • InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1

inchikey

  • DXPVAKSJZFQGSS-DQLDELGASA-N

mass

  • 369.890

monoisotopicmass

  • 369.16079

smiles

  • ClC1=CC=2NC=3C([C@@H]4C[C@@]56CCCN6C[C@@]4(CC3C2C=C1)NC5=O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,13S,15S)-7-chloro-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-3(11),4(9),5,7-tetraen-22-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201088

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