Products for Research Use Only
RegisterLogin

Iohexol EP Impurity D

CAT: 1596-AR-I01583-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-I01583-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2731968-49-1
Synonyms
N1- (3- (2,3-dihydroxypropoxy) -2-hydroxypropyl) -N3- (2,3-dihydroxypropyl) -5- (N- (2,3-dihydroxypropyl) acetamido) -2,4,6-triiodoisophthalamide; 5-[Acetyl (2,3-dihydroxypropyl) amino]-N-[3- (2,3-dihydroxypropoxy) -2-hydroxypropyl]-N′- (2,3-dihydroxypropyl) -2,4,6-triiodobenzene-1,3-dicarboxamide; Iodixanol Impurity 5
Molecular Formula
C22H32I3N3O11
Molecular Weight
895.23
API Name
Iohexol

Chemical Information

Iohexol EP Impurity D
CAS Number2731968-49-1
PubChem CID139032790
IUPAC Name5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl]-1-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular FormulaC22H32I3N3O11
Molecular Weight895.2
XLogP-3.8
Topological Polar Surface Area229
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity787
SMILES
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(COCC(CO)O)O)I)C(=O)NCC(CO)O)I
InChI
InChI=1S/C22H32I3N3O11/c1-10(32)28(4-13(35)6-30)20-18(24)15(21(37)26-2-11(33)5-29)17(23)16(19(20)25)22(38)27-3-12(34)8-39-9-14(36)7-31/h11-14,29-31,33-36H,2-9H2,1H3,(H,26,37)(H,27,38)
InChIKey
AJMHZDREGNQKOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iohexol EP Impurity D
CAS: 2731968-49-1
CID: 139032790
Formula: C22H32I3N3O11
MW: 895.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight895.2
XLogP3-3.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass894.9171
Monoisotopic Mass894.9171
Topological Polar Surface Area229 Ų
Heavy Atom Count39
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-I01582-01Iohexol EP Impurity C
AR-I03737-01Iohexol EP Impurity L
AR-I03736-01Iohexol EP Impurity K
AR-I01598-01Iohexol EP Impurity B
AR-I01581-01Iohexol EP Impurity E
AR-T02873-01Tretinoin EP Impurity D (Isotretinoin EP Impurity D)
AR-I01599-01Iohexol EP Impurity F (2,4-diiodo Isomer)
AR-I01600-01Iohexol EP Impurity G (2,4-diiodo Isomer)
AR-I03090-01Iohexol EP Impurity H (2,4-diiodo Isomer)
AR-I01597-01Iohexol EP Impurity H (4,6-diiodo Isomer)

Alternative Products

CatalogName
FI138582Iohexol impurity C
RM-I150826-01Iohexol Impurity 26
RM-I150838-01Iohexol Impurity 38
RM-I150836-01Iohexol Impurity 36
RM-I150834-01Iohexol Impurity 34
RM-I150833-01Iohexol Impurity 33
RM-I150852-01Iohexol Impurity 52
RM-I150828-01Iohexol Impurity 28
RM-I150824-01Iohexol Impurity 24
RM-I150820-01Iohexol Impurity 20

Popular Products