Chem
J-GLOBAL ID:200907099958449697
Nikkaji number:J373.265G
(+)-Cocaine
(+)-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-CBBWQLFWSA-N
SMILES:
COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)c1ccccc1)N2C
Systematic name (4):
(1S,1α,5α)-3β-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
[1S,5R,(+)]-3β-(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,3S,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,3S,5R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Other name (8):
(+)-コカイン
(+)-Cocaine
(+)-アロプソイドコカイン
(S)-アロプソイドコカイン
(+)-Allopseudococaine
(S)-Allopseudococaine
[1S,5R,(+)]-3β-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester
(1S,1α,5α)-3β-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid methyl ester
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CAS registry number:
131722-66-2
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