Iopamidol structure, CAS 60166-93-0

Iopamidol

CAS Number60166-93-0

SynonymsUNII:JR13W81H44; N,N'-Bis(1,3-dihydroxy-2-propanyl)-2,4,6-triiodo-5-(lactoylamino)isophthalamide; N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide; Iopamiron; EINECS 262-093-6; (S)-N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; Iopamidol; Isovue; MFCD00867931; 5-(a-Hydroxypropionylamino)-2,4,6-triiodoisophthalic Acid Di(1,3-dihydroxyisopropylamide); Iopamiro; (s)-n,n'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide; Solutrast; iomapidol; N,N'-Bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide; Jopamiro

Molecular FormulaC17H22I3N3O8

Molecular Weight777.09

Purity98%

Density2.3±0.1 g/cm3

Boiling Point785.3±60.0 °C at 760 mmHg

Melting Point>320ºC (dec)

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9010983 Purity: 98%
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Chemical & Physical Properties
CAS Number60166-93-0
Catalog No.2A-9010983
Chinese Name碘帕醇
SynonymsUNII:JR13W81H44; N,N'-Bis(1,3-dihydroxy-2-propanyl)-2,4,6-triiodo-5-(lactoylamino)isophthalamide; N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide; Iopamiron; EINECS 262-093-6; (S)-N,N'-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide; Iopamidol; Isovue; MFCD00867931; 5-(a-Hydroxypropionylamino)-2,4,6-triiodoisophthalic Acid Di(1,3-dihydroxyisopropylamide); Iopamiro; (s)-n,n'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-5-lactamidoisophthalamide; Solutrast; iomapidol; N,N'-Bis(1,3-dihydroxypropan-2-yl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide; Jopamiro
Molecular FormulaC17H22I3N3O8
Molecular Weight777.09
Purity98
Density2.3±0.1 g/cm3
Boiling Point785.3±60.0 °C at 760 mmHg
Melting Point>320ºC (dec)
Appearancepowder
Storage Condition-20?C Freezer
ApplicationIopamidol (B-15000; SQ-13396) is a non-ionic, low-penetration iodinated contrast agent.
HTC2924299090
SMILESIc1c(c(c(c(c1C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)NC(=O)[C@@H](O)C
InChI1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1
InChI KeyXQZXYNRDCRIARQ-LURJTMIESA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/10983_1_60166_93_0.pdf
Use ofIopamidol (B-15000; SQ-13396) is a nonionic, low-osmolar iodinated contrast agent. Properties Articles35 Name (S)-N,N′-Bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-5-lactamidoisophthalamide Synonym More Synonyms Iopamidol Biological Activity Description Iopamidol (B-15000; SQ-13396) is a nonionic, low-osmolar iodinated contrast agent. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. http://en.wikipedia.org/wiki/Iopamidol Chemical & Physical Properties Molecular Formula C17H22I3N3O8 Exact Mass 776.854065 PSA 188.45000 LogP -2.09 Index of Refraction 1.739 InChIKey XQZXYNRDCRIARQ-LURJTMIESA-N Storage condition -20?C Freezer Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1,3-Benzenedicarboxamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-((2-hydr oxy-1- oxopropyl)amino)-2,4,6-triiodo-, (S)- CAS REGISTRY NUMBER : 60166-93-0 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C17-H22-I3-N3-O8 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : Q1Y1QMVR BI DI FI CMVYQ1 EVMY1Q1Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - muscle contraction or spasticity Cardiac - change in rate REFERENCE : AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 147,2208,1987 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) REFERENCE : AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 107,116,1987 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraspinal SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Cardiac - pulse rate increase, without fall in BP REFERENCE : AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 12,329,1994 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 32,835,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 12(Suppl 1),11,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,104,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,41,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intracerebral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 45,200,1995 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 22,769,1994 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraarterial SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,104,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,104,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - dyspnea REFERENCE : YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 12(Suppl 1),11,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intracerebral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 32,835,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 32,835,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 32,835,1977 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4001323 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 9,563,1990 Safety Information RIDADR NONH for all modes of transport HS Code 2924299090 Synthetic Route Total: 1 Page S-(-)-5-[[2-(ac... CAS#:60166-91-8 CAS#:534-03-2 CAS#:60166-93-0 Literature: EP883597 B1, ; Page/Page column 6-7 ; 5-Amino-2,4,6-t... CAS#:35453-19-1 CAS#:60166-93-0 Precursor & DownStream Precursor 3 CAS#:60166-91-8 S-(-)-5-[[2-(ac... CAS#:534-03-2 CAS#:35453-19-1 5-Amino-2,4,6-t... DownStream 0
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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