Products 2452300-92-2

CAS 2452300-92-2 is the registry number for Dapagliflozin Impurity 63. Offered by: Chemat Brand. Available pack sizes: on request.

Dapagliflozin Impurity 63
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-one (CAS 2452300-92-2) is a chemical compound with the molecular formula C27H33ClO12 and a molecular weight of 585.0 g/mol. IUPAC name: (3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-one. InChIKey: MTIKNIBPWAJRRE-BJGJYONOSA-N.

Identity
Molecular formulaC27H33ClO12
Molecular weight585.0 g/mol
IUPAC name(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-one
InChIKeyMTIKNIBPWAJRRE-BJGJYONOSA-N
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC[C@@H]4[C@H]([C@@H]([C@H](C(=O)O4)O)O)O)Cl

Computed by PubChem (NCBI)

Synonyms: Dapagliflozin Impurity N3
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C27H33ClO12