Ioversol hydrolysate-1

CAT: 0804-HY-W799437-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W799437-01Size:25 mg

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Description

Ioversol hydrolysate-1 is a hydrolyzate of Ioversol , a non-ionic iodinated contrast agent (CM) used in CT scans or X-rays in animal experiments[1][2].

CAS Number

77868-40-7

UNSPSC

12352005

Hazard Statement

H315-H319

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/ioversol-hydrolysate-1.html

Solubility

10 mM in DMSO

Smiles

O=C(C1=C(C(NC(CO)=O)=C(C(C(NCC(CO)O)=O)=C1I)I)I)NCC(CO)O

Molecular Formula

C16H20I3N3O8

Molecular Weight

763.06

Precautions

P264-P280-P302+P352-P305+P351+P338-P362+P364

References & Citations

[1]Anqing Roundcare Pharmaceutical, et al. Preparation method of iodofol hydrolysate. World Intellectual Property Organization, WO2023104063 A1 2023-06-15.|[2]Yang D, et al. Selective inhibition of the reverse mode of Na (+) /Ca (2+) exchanger attenuates contrast-induced cell injury. Am J Nephrol. 2013;37 (3) :264-73.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

AG-H-12138

CAS Number	77868-40-7
PubChem CID	10908853
IUPAC Name	1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula	C16H20I3N3O8
Molecular Weight	763.06
XLogP	-2.9
Topological Polar Surface Area	188
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	30
Formal Charge	0
Complexity	562

SMILES

C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)

InChIKey

ZPJJDGLVOWPGAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77868-40-7

CID: 10908853

Formula: C16H20I3N3O8

MW: 763.06

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	763.06
XLogP3	-2.9
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	762.8385
Monoisotopic Mass	762.8385
Topological Polar Surface Area	188 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	562
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Ioversol hydrolysate-1

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