PF-04971729 5mg

CAT: 0628-A11102-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A11102-5Size:5 mg

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CAS Number

1210344-57-2

Chemical Information

Ertugliflozin

Ertugliflozin is a diarylmethane.

CAS Number	1210344-57-2
PubChem CID	44814423
IUPAC Name	(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
Molecular Formula	C22H25ClO7
Molecular Weight	436.9
XLogP	1.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	586

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

InChI

InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1

InChIKey

MCIACXAZCBVDEE-CUUWFGFTSA-N

Chemical Structure

2D Structure

CAS: 1210344-57-2

CID: 44814423

Formula: C22H25ClO7

MW: 436.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	436.9
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	436.1288808
Monoisotopic Mass	436.1288808
Topological Polar Surface Area	109 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	586
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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A11102-100	PF-04971729 100mg
A11102-25	PF-04971729 25mg
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Alternative Products

Catalog	Name
MBS386640-01	PF-04971729
FE137670-01	Ertugliflozin (PF 04971729)
MBS579460	PF-03084014 (PF-3084014)
M36412-01	PF-17
M34376-01	PF-184298
M33060-01	PF-04957325
M28021-01	PF-1355
M26783-01	PF-04937319
M26368-01	PF-04885614
M24156-01	PF-9363

PF-04971729 5mg

Chemical Information

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