Name: Naloxone-D5
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HIT ID:HIT218701061
Cas No:
Common Name:Naloxone-D5
IUPAC:(1S,5R,13R,17S)-10,17-dihydroxy-4-[(1,1,2,3,3-2H5)prop-2-en-1-yl]-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one
IUPAC:(1S,5R,13R,17S)-10,17-dihydroxy-4-[(1,1,2,3,3-2H5)prop-2-en-1-yl]-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one
InChI key:UZHSEJADLWPNLE-HEEDNVRVSA-N

Molecular Formula:C19H21NO4
Molecular Weight:332.411
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CCC2=O)C([2H])([2H])C([2H])=C([2H])[2H])ccc3O
SMILES:[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)CCC2=O)C([2H])([2H])C([2H])=C([2H])[2H])ccc3O

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