Chem
J-GLOBAL ID:200907023471421880
Nikkaji number:J384.535D
(-)-Pseudococaine
(-)-プソイドコカイン
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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:
C17 H21 NO4
Molecular formula furigana:
C17-H21-N-O4
Molecular weight:
303.358
InChI:
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m1/s1
InChI key:
ZPUCINDJVBIVPJ-LXTVHRRPSA-N
SMILES:
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(=O)c1ccccc1)N2C
Systematic name (3):
(1S,1α,5α)-3α-ベンゾイルオキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-2β-カルボン酸メチル
メチル (1S,2R,3R,5R)-3-(ベンゾイルオキシ)-8-メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボキシラート
methyl (1S,2R,3R,5R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (5):
(S)-プソイドコカイン
(-)-Pseudococaine
(S)-Pseudococaine
(-)-プソイドコカイン
(1S,1α,5α)-3α-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester
CAS registry number:
85354-45-6
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