N,N-dimethyl-2-[(5,6-dichloro-9a-propyl-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-7-yl)oxy]ethanimidamide hydrochloride hemihydrate

HCID 131714796
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Basic information

Standard SMILES
CCCC12CCC(=O)C=C1c1c(cc(OCC(=N)N(C)C)c(Cl)c1Cl)C2.CCCC12CCC(=O)C=C1c1c(cc(OCC(=N)N(C)C)c(Cl)c1Cl)C2.Cl.Cl.O
InChIKey
XDWREGYDXSSHGF-UHFFFAOYSA-N
Molecular formula
C40H52Cl6N4O5
Average molar mass
881.6 g/mol
Monoisotopic mass
878.206887

Names & identifiers

Preferred name
N,N-dimethyl-2-[(5,6-dichloro-9a-propyl-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-7-yl)oxy]ethanimidamide hydrochloride hemihydrate
IUPAC
bis(2-[(3,4-dichloro-6-oxo-8a-propyl-8,9-dihydro-7H-fluoren-2-yl)oxy]-N,N-dimethylethanimidamide);hydrate;dihydrochloride

Names & synonyms

XDWREGYDXSSHGF-UHFFFAOYSA-NN,N-dimethyl-2-[(5,6-dichloro-9a-propyl-3-oxo-2,3,9,9a-tetrahydro-1H-fluoren-7-yl)oxy]ethanimidamide hydrochloride hemihydrate

Database identifiers

PubChem CID
131714796

Properties

Computed structural properties

Topological polar surface area
108 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
55

Related reactions

1 records
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Linked notes

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