1-hydroxychlordene

Synonyms: "chlordene hydroxide", "3-hydroxychlordene", "4,7-methano-1H-inden-1-ol", "4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-4,7-methanoindenl-ol", "3a,4,7,7a-tetrahydro-4,5,6,7,8,8-hexachloro-4,7-methanoinden-1-ol", "BRN"

Source: 1-hydroxychlordene is a hydrolytic metabolite of heptachlor, an organochlorine insecticide.

Identifiers:

IUPAC Name: 3a,4,7,7a-tetrahydro-4,5,6,7,8,8-hexachloro-4,7-methanoinden-1-ol
CAS Number: 07/11/2597
PubChem ID: 25552
InChiKey: YQWCIPIEEBVRNY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)O

Structural Properties:

Molecular Formula: C₁₀H₆Cl₆O
Molecular Weight: 354.872

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 17

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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