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Ertugliflozin L-Pyroglutamic Acid

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Ertugliflozin L-Pyroglutamic acid / CAS : 1210344-83-4

Appearance - UN -
HS 熔点：142.5 °C DG Class -
Synonyms Ertugliflozin-L-Pyroglutamic acid; (1S,2S,3S,4R,55)-5-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-1-Hydroxymethyl-6,8-Dioxabicyclo[3.2.1]Octane-2,3,4-Triol Pyroglutamic acid; Cocrystal of (1S,2S,3S,4R,5S)-5-[4-Chloro-3-(4-Ethoxybenzyl)Phenyl]-1-Hydroxymethyl-6,8-Dioxabicyclo[3.2.1]Octane-2,3,4-Triol and L-Pyroglutamic acid; (1S,2S,3S,4R,5S)-5-(4-Chloro-3-(4-Ethoxybenzyl)Phenyl)-1-(Hydroxymethyl)-6,8-Dioxabicyclo[3.2.1]Octane-2,3,4-Triol (1:1) Compound with (S)-5-Oxopyrrolidine-2-Carboxylic acid
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Properties

Summary

Formula
C27H32ClNO10
Molecular Mass
565.99700
Exact Mass
565.17100
PSA
175.01000
Logp
1.03490
IUPAC
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)CO)O)O)O)Cl.C1CC(=O)N[C@@H]1C(=O)O

Attribute classification

Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
142.5 °C

Export information

HS Code
熔点：142.5 °C
Export Rebate
13%

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