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chemical compound

AttributesValues
rdf:type
description
  • химическое соединение (ru)
  • chemical compound (en)
  • composé chimique (fr)
  • compositum chemicum (la)
  • chemische Verbindung (de)
  • քիմիական միացություն (hy)
  • chemische verbinding (nl)
  • compuestu químicu (ast)
  • хімічна сполука (uk)
  • রাসায়নিক যৌগ (bn)
rdfs:label
  • Agropine (en)
skos:prefLabel
  • Agropine (en)
name
  • Agropine (en)
isomeric SMILES
isomeric SMILES
  • C1[C@@H](OC(=O)[C@@H](N1)CCC(=O)N)[C@H]([C@@H]([C@@H](CO)O)O)O
instance of
instance of
subclass of
subclass of
found in taxon
found in taxon
UniChem compound ID
CAS Registry Number
canonical SMILES
InChI
InChIKey
chemical formula
DSSTox substance ID
PubChem CID
DSSTOX compound identifier
PubChem CID
UniChem compound ID
  • 43134088
CAS Registry Number
  • 70699-77-3
canonical SMILES
  • O=C(N)CCC1NCC(OC1=O)C(O)C(O)C(O)CO
InChI
  • InChI=1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1
InChIKey
  • HCWLJSDMOMMDRF-SZWOQXJISA-N
chemical formula
  • C₁₁H₂₀N₂O₇
DSSTox substance ID
  • DTXSID70990949
PubChem CID
  • 121936
DSSTOX compound identifier
  • DTXCID101418037
mass
mass
is about of
is main subject of
is main subject of
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