Name: IPODATE SODIUM (200 MG)
SKU: 1221-56-3

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Basic Information

Molecular Structure:
CAS No.:	1221-56-3
Name:	IPODATE SODIUM (200 MG)

Formula:	C12H13 I3 N2 O2 . Na
Molecular Weight:	619.95
Synonyms:	Benzenepropanoicacid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo-, sodium salt (9CI);Hydrocinnamic acid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo-, sodiumsalt (7CI,8CI); Bilimin; Biloptin; Biloptinon; Iopodate sodium; Ipodate sodium;Oragrafin Sodium; SH 514; SQ 15761; Sodium 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodohydrocinnamate;Sodium iopodate; Sodium ipodate; Sodium b-[3-[[(dimethylamino)methylene]amino]-2,4,6-triiodophenyl]propionate
Melting Point:	303-304° (decompn with evolution of iodine)
Boiling Point:	579.8°C at 760 mmHg
Flash Point:	304.4°C
Safety:	Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of I⁻, NO_x, and Na₂O.
PSA:	55.73000
LogP:	2.40430

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Chemistry

Molecule structure of Sodium triiodohydrocinnamate (CAS NO.1221-56-3) :

IUPAC Name: sodium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate
Molecular Weight: 619.93906 g/mol
Molecular Formula: C₁₂H₁₂I₃N₂NaO₂
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 619.793051
MonoIsotopic Mass: 619.793051
Topological Polar Surface Area: 55.7
Heavy Atom Count: 20
Complexity: 345
Canonical SMILES: CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Na+]
InChI: InChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKey: ZFHZUGUCWJVEQC-UHFFFAOYSA-M
EINECS of Sodium triiodohydrocinnamate (CAS NO.1221-56-3) : 214-945-3

Toxicity Data With Reference

1.	orl-rat LD50:2500 mg/kg	FRPPAO Farmaco, Edizione Pratica. 31 (1976),397.
2.	ivn-rat LD50:303 mg/kg	FRPPAO Farmaco, Edizione Pratica. 31 (1976),397.
3.	orl-mus LD50:1100 mg/kg	KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. 14 (12)(1980),62.
4.	ivn-mus LD50:290 mg/kg	JMCMAR Journal of Medicinal Chemistry. 13 (1970),997.
5.	ivn-dog LDLo:300 mg/kg	FRPPAO Farmaco, Edizione Pratica. 31 (1976),397.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of I⁻, NO_x, and Na₂O.

Specification

Sodium triiodohydrocinnamate (CAS NO.1221-56-3) is also called 3-((Dimethylaminomethylene)amino)-2,4,6-triiodohydrocinnamic acid sodium salt ; Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, sodium salt ; Benzenepropanoic acid, 3-((dimethylaminomethylene)amino)-2,4,6-triiodo-, sodium salt ; Bilimin ; Bilivist ; Biloptin ; Iodopato sodico ; Iopodate de sodium ; Ipodate sodium ; NSC-106962 ; Natrii iopodas ; Oragrafin Sodium ; Oragrafin-sodium ; Sodium 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamate ; Sodium Iopodate (JAN) ; Sodium ipodate ; Sodium salt of 3-(3-dimethylaminomethyleneamino-2,4,6-triiodophenyl)propionic acid ; UNII-F316LLW9WW ; ZK 15 ; beta-(2,4,6-Trijod-3-dimethylaminomethylenamino-phenyl)-propionsaeure ; beta-(2,4,6-Trijod-3-dimethylaminomethylenamino-phenyl)-propionsaeure [German] .