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Phenprocoumon structure, CAS 435-97-2

Phenprocoumon

CAS Number435-97-2

SynonymsMarcoumar; Phenprocumon; Marcumar; 4-Hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one; UNII:Q08SIO485D; Falithrom; Falithiom; Phenprocumone; 3-(a-Ethylbenzyl)-4-hydroxycoumarin; RO 1-4849; Fencumar; LIQUAMAR; PHENPROCOUMON

Molecular FormulaC18H16O3

Molecular Weight280.32

Purity≥97 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point463.2±45.0 °C at 760 mmHg

Melting Point179.5ºC

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9011973 Purity: ≥97 (HPLC)%
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Quality Control of [ 435-97-2 ] Purity: ≥97 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number435-97-2
Catalog No.2A-9011973
Chinese Name苯丙香豆素
SynonymsMarcoumar; Phenprocumon; Marcumar; 4-Hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one; UNII:Q08SIO485D; Falithrom; Falithiom; Phenprocumone; 3-(a-Ethylbenzyl)-4-hydroxycoumarin; RO 1-4849; Fencumar; LIQUAMAR; PHENPROCOUMON
Molecular FormulaC18H16O3
Molecular Weight280.32
Purity≥97 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point463.2±45.0 °C at 760 mmHg
Melting Point179.5ºC
Appearancepowder
Storage Condition2-8℃
PackagingIII
ApplicationPhenprocoumon is a coumarin derivative, a long-acting oral anticoagulant and a vitamin K (vitamin K) antagonist.
HTC2932209090
MDL NumberMFCD00865273
SMILESCCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
InChI1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,20H,2H2,1H3
InChI KeyQNDUUBVQYBBRBW-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(b)
MSDSmsds/11973_1_435_97_2.pdf
Use ofPhenprocoumon is a coumarin derivative that acts as a long acting oral anticoagulant and an antagonist of vitamin K. Properties Name phenprocoumon Synonym More Synonyms Phenprocoumon Biological Activity Description Phenprocoumon is a coumarin derivative that acts as a long acting oral anticoagulant and an antagonist of vitamin K. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others Vitamin K[1]. References [1]. Straubhaar B, et al. The prevalence of potential drug-drug interactions in patients with heart failure at hospital discharge. Drug Saf. 2006;29(1):79-90. [2]. DIETMAR TRENK, et al. Age-dependent differences in the effect of phenprocoumon on the vitamin K1-epoxide cycle in rats. Trenk D. J Pharm Pharmacol. 1980 Dec;32(12):828-32. Chemical & Physical Properties Molecular Formula C18H16O3 Exact Mass 280.109955 PSA 50.44000 Index of Refraction 1.638 InChIKey DQDAYGNAKTZFIW-UHFFFAOYSA-N Storage condition 2-8℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Coumarin, 3-(alpha-ethylbenzyl)-4-hydroxy- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C18-H16-O3 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 : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 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 : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 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 : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 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 : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,107,1954 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 13500 ug/kg/26W-I TOXIC EFFECTS : Blood - hemorrhage Blood - change in clotting factors Related to Chronic Data - death REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,145,1971 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 24900 ug/kg/52W-I TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,145,1971 Safety Information RIDADR UN 2811 Packaging Group III Hazard Class 6.1(b) HS Code 2932209090 Synthetic Route Total: 1 Page 4-Hydroxycoumarin CAS#:1076-38-6 phenyl propanol CAS#:93-54-9 Phenprocoumon CAS#:435-97-2 Literature: Kischel, Jette; Mertins, Kristin; Michalik, Dirk; Zapf, Alexander; Beller, Matthias Advanced Synthesis and Catalysis, 2007 , vol. 349, # 6 p. 865 - 870 Precursor & DownStream Precursor 2 CAS#:1076-38-6 4-Hydroxycoumarin CAS#:93-54-9 phenyl propanol DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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