Products for Research Use Only
RegisterLogin

N-Acetyl Cyclized Iodixanol

CAT: 0572-TRC-A171970-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A171970-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
171897-72-6
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(=O)N(CC1CN(C(=O)C)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2O1)c3c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c3I
Molecular Formula
C35H43I5N6O15
Molecular Weight
1422.27
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Acetyl-2-((acetyl(3,5-bis(((2,3-dihydroxypropyl)amino)carbonyl)-2,4,6-triiodophenyl)amino)methyl)-N,N'-bis(2,3-dihydroxypropyl)-2,3-dihydro-5,7-diiodo-4H-1,4-benzoxazine-6,8-dicarboxamide
CAS Number171897-72-6
PubChem CID15230867
IUPAC Name4-acetyl-2-[[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]methyl]-6-N,8-N-bis(2,3-dihydroxypropyl)-5,7-diiodo-2,3-dihydro-1,4-benzoxazine-6,8-dicarboxamide
Molecular FormulaC35H43I5N6O15
Molecular Weight1422.3
XLogP-2.7
Topological Polar Surface Area328
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Heavy Atom Count61
Formal Charge0
Complexity1490
SMILES
CC(=O)N1CC(OC2=C(C(=C(C(=C21)I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)CN(C3=C(C(=C(C(=C3I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C
InChI
InChI=1S/C35H43I5N6O15/c1-13(51)45(29-26(38)20(32(57)41-3-15(53)9-47)24(36)21(27(29)39)33(58)42-4-16(54)10-48)7-19-8-46(14(2)52)30-28(40)22(34(59)43-5-17(55)11-49)25(37)23(31(30)61-19)35(60)44-6-18(56)12-50/h15-19,47-50,53-56H,3-12H2,1-2H3,(H,41,57)(H,42,58)(H,43,59)(H,44,60)
InChIKey
IOCIQOIPCBOEJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Acetyl-2-((acetyl(3,5-bis(((2,3-dihydroxypropyl)amino)carbonyl)-2,4,6-triiodophenyl)amino)methyl)-N,N'-bis(2,3-dihydroxypropyl)-2,3-dihydro-5,7-diiodo-4H-1,4-benzoxazine-6,8-dicarboxamide
CAS: 171897-72-6
CID: 15230867
Formula: C35H43I5N6O15
MW: 1422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1422.3
XLogP3-2.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count15
Rotatable Bond Count19
Exact Mass1421.8010
Monoisotopic Mass1421.8010
Topological Polar Surface Area328 Ų
Heavy Atom Count61
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-I667200-100MGIodixanol
TRC-I667200-10MGIodixanol
TRC-D198945-25MGDeacetyl Iodixanol
TRC-C989700-100MGCyclic Iodixanol (90%)
TRC-C989700-10MGCyclic Iodixanol (90%)
TRC-M568050-50MGMontelukast Cyclized Ether impurity
TRC-M568050-5MGMontelukast Cyclized Ether impurity
TRC-H591973-50MG16alpha-Homo Dexamethasone Cyclized Phosphate
TRC-I667225-50MGIodixanol Mono Lohexol Ether
TRC-H591973-100MG16alpha-Homo Dexamethasone Cyclized Phosphate

Alternative Products

CatalogName
FA161956-01N-Acetyl Cyclized Iodixanol
AR-I03723-01N-Nitroso Iodixanol
CS-O-47893Venetoclax cyclized N-oxide impurity
H-2232.0001Acetyl-Amyloid b/A4 Protein Precursor770 (96-110) (cyclized)
M40785ACETYL-AMYLOID BETA/A4 PROTEIN PRECURSOR770 (96-110) (CYCLIZED)
HY-B1426-01Iodixanol
WGA89773-01Cyclic iodixanol
HY-B1426RIodixanol (Standard)

Popular Products