Products for Research Use Only
RegisterLogin

Ertugliflozin Impurity 13

CAT: 1596-AR-E10334-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-E10334-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1528636-36-3
Molecular Formula
C31H51ClO10SSi3
Molecular Weight
735.50
API Name
Ertugliflozin

Chemical Information

Ertugliflozin impurity 13 Pyridine salt
CAS Number1528636-36-3
PubChem CID175675589
IUPAC Name[(2R,3R,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl hydrogen sulfate;pyridine
Molecular FormulaC36H56ClNO10SSi3
Molecular Weight814.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count52
Formal Charge0
Complexity1080
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC)Cl.C1=CC=NC=C1
InChI
InChI=1S/C31H51ClO10SSi3.C5H5N/c1-12-37-25-16-13-22(14-17-25)19-23-20-24(15-18-26(23)32)31(36-2)30(42-46(9,10)11)29(41-45(6,7)8)28(40-44(3,4)5)27(39-31)21-38-43(33,34)35;1-2-4-6-5-3-1/h13-18,20,27-30H,12,19,21H2,1-11H3,(H,33,34,35);1-5H/t27-,28-,29+,30-,31+;/m1./s1
InChIKey
JPNYOWQUBPKDSN-YIYXHSBESA-N
Chemical Structure
2D Structure
2D structure of Ertugliflozin impurity 13 Pyridine salt
CAS: 1528636-36-3
CID: 175675589
Formula: C36H56ClNO10SSi3
MW: 814.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass813.2621255
Monoisotopic Mass813.2621255
Topological Polar Surface Area140 Ų
Heavy Atom Count52
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-E10336-01Ertugliflozin Impurity 1
AR-E10331-01Ertugliflozin Keto Impurity
AR-E11056-01Ertugliflozin Impurity 5
AR-E10341-01Ertugliflozin Impurity 17
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
AR-E10347-01Ertugliflozin Impurity 23

Alternative Products

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

Popular Products