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Iocetamic acid structure, CAS 16034-77-8

Iocetamic acid

CAS Number16034-77-8

SynonymsCholimil; DRC 1201; Acide iocetamique [INN-French]; N-(3-amino-2,4,6-triiodophenyl)-3-acetamido-2-methyl-propionic acid; Colebrina; IOCETAMIC ACID; Acidum jocetamicum; Iocetamsaeure; Acidum iocetamicum [INN-Latin]; Cholebrine; Acido iocetamico [INN-Spanish]

Molecular FormulaC12H13I3N2O3

Molecular Weight613.95700

Purity98.00%

Density2.416g/cm3

Boiling Point658.2ºC at 760 mmHg

Melting Point224-225ºC

Flash Point

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Cat. No.: 2A-9010965 Purity: 98.00%
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Quality Control of [ 16034-77-8 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number16034-77-8
Catalog No.2A-9010965
Chinese Name碘西他酸
SynonymsCholimil; DRC 1201; Acide iocetamique [INN-French]; N-(3-amino-2,4,6-triiodophenyl)-3-acetamido-2-methyl-propionic acid; Colebrina; IOCETAMIC ACID; Acidum jocetamicum; Iocetamsaeure; Acidum iocetamicum [INN-Latin]; Cholebrine; Acido iocetamico [INN-Spanish]
Molecular FormulaC12H13I3N2O3
Molecular Weight613.95700
Purity98.00
Density2.416g/cm3
Boiling Point658.2ºC at 760 mmHg
Melting Point224-225ºC
ApplicationBile saline (DRC 1201) is a diagnostic auxiliary and an oral active contrast agent [1].
HTC2924299090
SMILESCC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
InChIInChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)
InChI KeyGSVQIUGOUKJHRC-UHFFFAOYSA-N
Use ofCholebrine (DRC 1201), a diagnostic aid, is an orally active chotecystographic contrast agent[1]. Properties Name 3-(N-acetyl-3-amino-2,4,6-triiodoanilino)-2-methylpropanoic acid Synonym More Synonyms Description Cholebrine (DRC 1201), a diagnostic aid, is an orally active chotecystographic contrast agent[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Owen JP, et al. Comparative study of iocetamic acid and calcium ipodate in the visualisation of the gallbladder and common bile duct. Clin Radiol. 1978 Sep;29(5):535-40. [2]. Janbroers JM, et al. Toxicologic studies of iocetamic acid in rats and dogs. Toxicol Appl Pharmacol. 1969 Mar;14(2):242-8. Chemical & Physical Properties Molecular Formula C12H13I3N2O3 Exact Mass 613.80600 PSA 83.63000 LogP 3.73740 Index of Refraction 1.75 InChIKey GSVQIUGOUKJHRC-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Propionic acid, 3-(acetyl-(3-amino-2,4,6-triiodophenyl)amino)-2-methy l- CAS REGISTRY NUMBER : 16034-77-8 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H13-I3-N2-O3 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : ZR BI DI FI CNV1&1Y1&VQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - other changes REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,232,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,997,1970 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6131 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 260 (estimated) No. of Female Employees: 140 (estimated) Safety Information HS Code 2924299090
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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