1-Methoxy Empagliflozin

CAT: 0572-TRC-M262493-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M262493-10MGSize:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1279691-36-9

Synonyms

Methyl 1-C-[4-Chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-α-D-glucopyranoside;

Hazard Statement

Suspected of damaging fertility or the unborn child

Purity

>95% (HPLC)

Smiles

CO[C@]1(C2=CC=C(C(=C2)CC3=CC=C(C=C3)O[C@H]4CCOC4)Cl)[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Molecular Formula

C24H29ClO8

Molecular Weight

480.94

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

(2S,3R,4S,5S,6R)-2-(4-Chloro-3-(4-(((S)-tetrahydrofuran-3-YL)oxy)benzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

CAS Number	1279691-36-9
PubChem CID	51356674
IUPAC Name	(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
Molecular Formula	C24H29ClO8
Molecular Weight	480.9
XLogP	1.8
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	617

SMILES

CO[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@H]4CCOC4

InChI

InChI=1S/C24H29ClO8/c1-30-24(23(29)22(28)21(27)20(12-26)33-24)16-4-7-19(25)15(11-16)10-14-2-5-17(6-3-14)32-18-8-9-31-13-18/h2-7,11,18,20-23,26-29H,8-10,12-13H2,1H3/t18-,20+,21+,22-,23+,24-/m0/s1

InChIKey

YIVKIDWTTVMRBY-JZTXWIGVSA-N

Chemical Structure

2D Structure

CAS: 1279691-36-9

CID: 51356674

Formula: C24H29ClO8

MW: 480.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.9
XLogP3	1.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	480.1550956
Monoisotopic Mass	480.1550956
Topological Polar Surface Area	118 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	617
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-H941833-10MG	1-Hydroxy Empagliflozin
TRC-H941833-25MG	1-Hydroxy Empagliflozin
TRC-E521510-50MG	Empagliflozin
TRC-E521510-100MG	Empagliflozin
TRC-E521510-10MG	Empagliflozin
TRC-H939075-2.5MG	Hydroxy Empagliflozin
TRC-P285355-100MG	Peracetyl Empagliflozin
TRC-E522025-50MG	Bromo Empagliflozin

Alternative Products

Catalog	Name
409948-01	1-Methoxy Empagliflozin
AR-E09019-01	1-Methoxy-Empagliflozin Tetraacetoxy
AR-E08861-01	1-Methoxy Empagliflozin (2RS Isomer)
AR-E08803-01	Methoxy Hydroxy Empagliflozin
AR-E02351-01	Empagliflozin Methoxy impurity
AR-E02318-01	Methoxy analog of Empagliflozin
AR-E08807-01	Empagliflozin Desbromo Methoxy Impurity
AR-E01252-01	Methoxy Empagliflozin Furanose (Mixture R and S)
EBC69135-01	1-Hydroxy empagliflozin
AR-E01272-01	Empagliflozin Enantiomer Impurity 1

1-Methoxy Empagliflozin

Chemical Information

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