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Iotrolan

Iotrolan structure

CAS No:
79770-24-4
Formula:
C37H48I6N6O18
Chemical Name:
Iotrolan
Synonyms:
1,3-Benzenedicarboxamide,5,5′-[(1,3-dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N′-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-;5,5′-[(1,3-Dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N′-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-1,3-benzenedicarboxamide;Iotrol;Iotrolan;Compound ZK 39482;SHL 437AA;Isovist;Iotrovist;ZK 39482;Isovist 300;Isovist 240;Isovist 280
Categories:
Active Pharmaceutical Ingredients > Diagnostic Agents

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Description

White or yellowish-white powder, hygroscopic.

Iotrolan is an organic molecular entity.|Nonionic, isotonic contrast medium designed for intrathecal use.

Iotrolan Basic Attributes

Molecular Weight：

1626.23

Exact Mass：

1626.23

UNII：

16FL47B687

DSSTox ID：

DTXSID0023165

ATC Code：

V - Various

Characteristics

PSA：

400

XLogP3：

-4.2

Density：

2.316 g/cm3

Boiling Point：

1390.4ºC at 760 mmHg

Refractive Index：

1.761

Storage Conditions：

2-8°C

Toxicity：

LD50 in mice, rats (gI/kg): >26, 12.7 i.v. (Sovak, 1982)

Drug Information

MeSH：

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

MeSH Entry Terms：

DL 3-117

Iotrolan Use and Manufacturing

Uses

Diagnostic aid (radiopaque medium).

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:1626.2
XLogP3:-4.2
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:24
Exact Mass:1625.7293
Monoisotopic Mass:1625.7293
Topological Polar Surface Area:400
Heavy Atom Count:67
Complexity:1450
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes