skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > chloride salt > organic chloride salt > hydrochloride > cocaine hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > chloride salt > organic chloride salt > hydrochloride > cocaine hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic chloride salt > hydrochloride > cocaine hydrochloride

Preferred term

cocaine hydrochloride  

Type

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

Broader concept

charge

  • 0

formula

  • C17H21NO4.HCl
  • C17H22ClNO4

has_part

has_role

inchi

  • InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15+;/m0./s1

inchikey

  • PIQVDUKEQYOJNR-VZXSFKIWSA-N

mass

  • 339.81400

monoisotopicmass

  • 339.12374

smiles

  • [Cl-].[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)[NH+]2C

subset

  • 3_STAR

synonym EXACT

  • (1R,2R,3S,5S)-3-(benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo[3.2.1]octane chloride

synonym RELATED

  • Cocain-chlorhydrat
  • Cocaine chloride
  • Cocaine HCl
  • Cocaine muriate
  • l-Cocaine hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:613010

Download this concept:

RDF/XML TURTLE JSON-LD