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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > chloride salt > organic chloride salt > hydrochloride > (1r,3s)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > chloride salt > organic chloride salt > hydrochloride > (1r,3s)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic chloride salt > hydrochloride > (1r,3s)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride

Preferred term

(1r,3s)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C20H28ClNO3

has_part

has_role

inchi

  • InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1

inchikey

  • BWHPNJVKFAPVOG-QYFJGNGUSA-N

mass

  • 365.89400

monoisotopicmass

  • 365.17577

smiles

  • Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2

subset

  • 3_STAR

synonym EXACT

  • (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

synonym RELATED

  • [(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium chloride
  • 3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride
  • A 77636
  • A-77636
  • A77636
  • A 77636 hydrochloride
  • A77636 hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64078

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