Chem
J-GLOBAL ID:200907070382014195
Nikkaji number:J23.288B
Nalmefene
ナルメフェン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H25 NO3
Molecular formula furigana:
C21-H25-N-O3
Molecular weight:
339.435
InChI:
InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
InChI key:
WJBLNOPPDWQMCH-MBPVOVBZSA-N
SMILES:
Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O
Systematic name (5):
4,5α-エポキシ-17-(シクロプロピルメチル)-6-メチレンモルフィナン-3,14-ジオール
17-(シクロプロピルメチル)-4,5α-エポキシ-6-メチレンモルフィナン-3,14-ジオール
4,5α-エポキシ-6-メチレン-17-(シクロプロピルメチル)モルフィナン-3,14-ジオール
(1S,5R,13S,17S)-4-(シクロプロピルメチル)-14-メチリデン-12-オキサ-4-アザペンタシクロ[9.6.1.01,13 .05,17 .07,18 ]オクタデカ-7,9,11(18)-トリエン-10,17-ジオール
(1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.01,13 .05,17 .07,18 ]octadeca-7,9,11(18)-triene-10,17-diol
Other name (7):
ナルメトレン
ナルメフェン
Nalmefene
ORF-11676
Nalmetrene
17-(Cyclopropylmethyl)-4,5α-epoxy-6-methylenemorphinan-3,14-diol
4,5α-Epoxy-6-methylene-17-(cyclopropylmethyl)morphinan-3,14-diol
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CAS registry number:
55096-26-9
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