Products 1332-94-1

CAS 1332-94-1 is the registry number for Laetrile. Offered by: MedChemExpress. Available pack sizes: Get quote.

Laetrile
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 1332-94-1) is a chemical compound with the molecular formula C14H15NO7 and a molecular weight of 309.27 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: XLSLFPQAPYONPW-WHUHBCJBSA-N.

Identity
Molecular formulaC14H15NO7
Molecular weight309.27 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[(R)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyXLSLFPQAPYONPW-WHUHBCJBSA-N
SMILESC1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Laetrile, l-Mandelonitrile-beta-glucuronoside, beta-D-Glucopyranosiduronic acid, alpha-cyanobenzyl, Cyanophenylmethyl-beta-D-glucopyranosiduronic acid, Mandelonitrile-beta-glucuronide, Laetrille, Vitamin B17, Vitamin B(sub 17), Vitamin, Mandelonitrile beta-glucuronide
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid C14H15NO7
(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]pentanedioic acid C14H15NO7
diethyl 5-nitro-3H-1-benzofuran-2,2-dicarboxylate C14H15NO7
ethyl 4-(3-ethoxy-2,3-dioxopropyl)-3-nitrobenzoate C14H15NO7
(2S)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butanedioic acid C14H15NO7
4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid C14H15NO7

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