Products for Research Use Only
RegisterLogin

Dapagliflozin Impurity 113

CAT: 1596-AR-D06310-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-D06310-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1616259-14-3
Molecular Formula
C23H27ClO7
Molecular Weight
450.91
API Name
Dapagliflozin

Chemical Information

[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CAS Number1616259-14-3
PubChem CID176476043
IUPAC Name[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Molecular FormulaC23H27ClO7
Molecular Weight450.9
XLogP2.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity568
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C)Cl
InChI
InChI=1S/C23H27ClO7/c1-3-29-17-7-4-14(5-8-17)10-16-11-15(6-9-18(16)24)22-23(30-13(2)26)21(28)20(27)19(12-25)31-22/h4-9,11,19-23,25,27-28H,3,10,12H2,1-2H3/t19-,20-,21+,22+,23-/m1/s1
InChIKey
ZCCAVRLMAWVWEP-MHMIHQHRSA-N
Chemical Structure
2D Structure
2D structure of [(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CAS: 1616259-14-3
CID: 176476043
Formula: C23H27ClO7
MW: 450.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.9
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass450.1445309
Monoisotopic Mass450.1445309
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity568
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
AR-D01152-01Hydroxy-Dapagliflozin Impurity
AR-D08047-01Dapagliflozin Carbaldehyde Impurity
AR-D06054-01Hydroxy Dapagliflozin Impurity
AR-D06379-01Dapagliflozin Impurity 55
AR-D06354-01Dapagliflozin Impurity 62
AR-D06341-01Dapagliflozin Impurity 45
AR-D06349-01Dapagliflozin Impurity 54
AR-D06327-01Dapagliflozin Impurity 132
AR-D06360-01Dapagliflozin Impurity 77
AR-D06359-01Dapagliflozin Impurity 76

Alternative Products

CatalogName
HY-400785-01Dapagliflozin impurity A
MBS3843560-01Dapagliflozin impurity
448274-01Ent-α-C Dapagliflozin (Dapagliflozin Impurity)
TRC-D185365-10MGEnt-a-C Dapagliflozin (Dapagliflozin Impurity)
ID171682-01Dapagliflozin Impurity 26
445784-01Dapagliflozin Keto Impurity
RM-D160861-01Dapagliflozin Impurity 161
RM-D160774-01Dapagliflozin Impurity 74
RM-D160826-01Dapagliflozin Impurity 126
RM-D160717-01Dapagliflozin Impurity 17

Popular Products