Structure

Iotasul

CAS
71767-13-0
Catalog Number
ACM71767130
Category
Other Products
Molecular Weight
1608.33 g/mol
Molecular Formula
C38H50I6N6O14S

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Specification

Synonyms
Iotasul, Iotasulum, Iotasul (USAN/INN), Iotasulum [INN-Latin], CID71984, EINECS 275-996-5, D04592, 71767-13-0, 1,3-Benzenedicarboxamide, 5,5-(thiobis((1-oxo-3,1-propanediyl)imino))bis(N,N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N-dimethyl-
IUPAC Name
5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Canonical SMILES
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CCSCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I)I)C(=O)N(C)CC(CO)O)I
InChI Key
OQHLOKBHRXMXLD-UHFFFAOYSA-N
Boiling Point
1429.4ºC at 760 mmHg
Flash Point
818.3ºC
Density
2.201g/cm³
EC Number
275-996-5
Exact Mass
1607.74000
H-Bond Acceptor
14
H-Bond Donor
10
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