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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > chloride salt > organic chloride salt > hydrochloride > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane dihydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > chloride salt > organic chloride salt > hydrochloride > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane dihydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic chloride salt > hydrochloride > (s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane dihydrochloride

Preferred term

(s)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane dihydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C16H23Cl2N3O2S

has_part

has_role

inchi

  • InChI=1S/C16H21N3O2S.2ClH/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2;;/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3;2*1H/t13-;;/m0../s1

inchikey

  • BFOPDSJOLUQULZ-GXKRWWSZSA-N

mass

  • 392.345

monoisotopicmass

  • 391.08880

smiles

  • N1=CC2=C(C(=C1)C)C(=CC=C2)S(N3[C@H](CNCCC3)C)(=O)=O.Cl.Cl

subset

  • 3_STAR

synonym EXACT

  • 4-methyl-5-[(2S)-2-methyl-1,4-diazepane-1-sulfonyl]isoquinoline dihydrochloride

synonym RELATED

  • dimethyl fasudil dihydrochloride
  • H-1152 dihydrochloride
  • ROCK inhibitor

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137694

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