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Structure

Diatrizoic acid sodium salt dihydrate

CAS
737-31-5
Catalog Number
ACM737315
Category
Other Products
Molecular Weight
635.9
Molecular Formula
C11H8I3N2NaO4

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Specification

Synonyms
Diatrizoate sodium, Histopaque, Iothalamate, Triombrine, Triombrin, Vascoray, Hypaque, Methalamic acid, Hypaque sodium, Sodium diatrizoate, Hypaque Cysto, Gastrografin, Hypaque-DIU, Urovist sodium, Sodium amidotrizoate, Hypaque 50, Meglumine diatrizoate, Conray 35, Urovist Sodium 300, Diatrizoate sodium salt
IUPAC Name
sodium 3,5-diacetamido-2,4,6-triiodobenzoate
Canonical SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]
InChI Key
ZEYOIOAKZLALAP-UHFFFAOYSA-M
Boiling Point
614.1ºC at 760 mmHg
Flash Point
325.2ºC
EC Number
212-004-1
Exact Mass
635.75200
Hazard Statements
Xn:Harmful
H-Bond Acceptor
4
H-Bond Donor
2
Safety Description
S36
WGK Germany
3

Upstream Synthesis Route 1

  • 117-96-4
  • 737-31-5

Reference: [1] Chemistry - A European Journal, 2015, vol. 21, # 3, p. 1036 - 1047

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