Ketcher 08132114502D 1   1.00000     0.00000     0

 21 22  0     1  0            999 V2000
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   16.4487  -11.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5828   -9.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4490   -8.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7167   -9.7198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3148  -11.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0     0  0
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  3 20  1  0     0  0
M  END
> <ID>
CHEBI:177381

> <NAME>
naxagolide hydrochloride

> <DEFINITION>
The hydrochloride salt of naxagolide.

> <STAR>
3

> <SYNONYM>
naxagolide monohydrochloride; naxagolide HCl; MK-458; MK 458; L-647,339; L 647339; L 647,339; (4aR-trans)-3,4,4a,5,6,10b-hexahydro-4-propyl-2H-naphth[1,2-b]-1,4-oxazin-9-ol hydrochloride; (4aR,10bR)-9-hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium chloride; (+)-PHNO hydrochloride

> <IUPAC_NAME>
(4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol hydrochloride

> <FORMULA>
C15H21NO2.ClH

> <MASS>
283.800

> <MONOISOTOPIC_MASS>
283.13391

> <CHARGE>
0

> <SMILES>
Cl.[H][C@@]12CCC3=C(C=C(O)C=C3)[C@@]1([H])OCCN2CCC

> <INCHI>
InChI=1S/C15H21NO2.ClH/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16;/h3,5,10,14-15,17H,2,4,6-9H2,1H3;1H/t14-,15-;/m1./s1

> <INCHIKEY>
NNEACMQMRLNNIL-CTHHTMFSSA-N

> <CAS_REGISTRY_NUMBER>
99705-65-4

> <CHEMIDPLUS>
99705-65-4

> <KEGG_DRUG_ACCESSION>
D05124

> <PUBMED_CITATION>
1348452; 1580821; 15943487; 1676932; 1913699; 1979657; 2900065; 8363442

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