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Product Overview

Product Code

TRC-A171970

CAS Number

171897-72-6

Product Format

Neat

Molecular Formula

C35H43I5N6O15

Molecular Weight

1422.27

API Family

Iodixanol

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

N-Acetyl Cyclized Iodixanol

CAS Number

171897-72-6

Molecular Formula

C35H43I5N6O15

Molecular Weight

1422.27

Accurate Mass

1421.801

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

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)

IUPAC

4-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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Iodixanol

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