Products for Research Use Only
RegisterLogin

Ertugliflozin Impurity 8

CAT: 1299-RM-E900008-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1299-RM-E900008-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1298086-18-6
Synonyms
(1R,2S,3S,4R,5S) -1- (acetoxymethyl) -5- (4-chloro-3- (4-ethoxybenzyl) phenyl) -6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate
Molecular Formula
C30H33ClO11
Molecular Weight
605.03
Target Alternative Name
Ertugliflozin
Product Name Synonym
(1R,2S,3S,4R,5S) -1- (acetoxymethyl) -5- (4-chloro-3- (4-ethoxybenzyl) phenyl) -6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate

Chemical Information

(1r,2s,3s,4r,5s)-1-(Acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate
CAS Number1298086-18-6
PubChem CID52931641
IUPAC Name[(1R,2S,3S,4R,5S)-2,3,4-triacetyloxy-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6,8-dioxabicyclo[3.2.1]octan-1-yl]methyl acetate
Molecular FormulaC30H33ClO11
Molecular Weight605.0
XLogP3.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity998
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@@]34[C@@H]([C@H]([C@@H]([C@@](O3)(CO4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Cl
InChI
InChI=1S/C30H33ClO11/c1-6-36-24-10-7-21(8-11-24)13-22-14-23(9-12-25(22)31)30-28(41-20(5)35)26(39-18(3)33)27(40-19(4)34)29(42-30,16-38-30)15-37-17(2)32/h7-12,14,26-28H,6,13,15-16H2,1-5H3/t26-,27-,28+,29-,30-/m0/s1
InChIKey
LFZVLROKLDGLRV-KTBGKDHWSA-N
Chemical Structure
2D Structure
2D structure of (1r,2s,3s,4r,5s)-1-(Acetoxymethyl)-5-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triyl triacetate
CAS: 1298086-18-6
CID: 52931641
Formula: C30H33ClO11
MW: 605.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.0
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass604.1711396
Monoisotopic Mass604.1711396
Topological Polar Surface Area133 Ų
Heavy Atom Count42
Formal Charge0
Complexity998
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
RM-E900012-01Ertugliflozin Impurity 12
RM-E900021-01Ertugliflozin Impurity 21
RM-E900020-01Ertugliflozin Impurity 20
RM-E900017-01Ertugliflozin Impurity 17
RM-E900040-01Ertugliflozin Impurity 40
RM-E900039-01Ertugliflozin Impurity 39
RM-E900033-01Ertugliflozin Impurity 33
RM-E900053-01Ertugliflozin Impurity 53
RM-E900048-01Ertugliflozin Impurity 48
RM-E900056-01Ertugliflozin Impurity 56

Alternative Products

CatalogName
AR-E10336-01Ertugliflozin Impurity 1
AR-E10331-01Ertugliflozin Keto Impurity
AR-E11056-01Ertugliflozin Impurity 5
AR-E10341-01Ertugliflozin Impurity 17
AR-E10334-01Ertugliflozin Impurity 13
AR-E10335-01Ertugliflozin Impurity 14
AR-E11055-01Ertugliflozin Impurity 4
AR-E10338-01Ertugliflozin Impurity 3
AR-E10330-01Ertugliflozin Hydroxy Impurity
AR-E11057-01Ertugliflozin Impurity 6

Popular Products