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HCID 5284607생성일: 2026년 10월 29일

Phylloquinone

Vitamin K1 (9CI, ACI) · Vitamin K1

https://huagongshe.com/ko/chemical/5284607

Phylloquinone 분자 구조식

식별자 및 물리적 특성

CAS No.11104-38-4
분자식C31H46O2
평균 분자량450.7 g/mol
단동위원소 질량450.34978071 g/mol
SMILESCC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
PubChem CID5284607
ChEMBLCHEMBL1550
ChEBICHEBI:18067
EC No.201-564-2
DTXSIDDTXSID8023472

화학 및 물리적 성질

XLogP10.9
극성 표면적34.1
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수14
무거운 원자 수33
형식 전하0
복잡도696
물질 분류Biological Agents -> Vitamins and Derivatives
의약품Pharmaceuticals -> Listed in ZINC15
지질Lipids -> Prenol Lipids [PR] -> Quinones and hydroquinones [PR02] -> Vitamin K [PR0203]
화장품Skin conditioning
pHSOLN OF 1 PART VIT K1 & 20 PARTS ALC IS NEUTRAL TO LITMUS
SpringerMaterials PropertiesChemical diffusion
냄새Odorless
밀도0.964 @ 25 °C/25 °C
Color/FormYellow viscous oilLIGHT-YELLOW SOLIDS OR OILSPale yellow oil or yellow crystalsClear, yellow to amber, viscous, odourless liquid
용해도Insoluble in waterColorless oilUV max (95% alcohol): 259, 305 nm (log Em 3.79, 3.31)insol in water /2,3-Epoxide/sparingly soluble in methanolsol in ethanolsol in acetone, benzene, petroleum ether, hexane, and dioxanesol in chloroform, and other fat solventssol in vegetable oilsSOL IN FATS
Human DrugsBreast FeedingLactationMilk, HumanVitaminsAntifibrinolytic AgentsFDA approved drugs -> Active ingredientMedicines affecting coagulation
끓는 점140-145 °C @ 0.001 mm Hg
화장품 원료 기능피부 컨디셔닝 - 기타
InChIKeyMBWXNTAXLNYFJB-OJUGCUFGNA-N
SMILESC12C=CC=CC=1C(=O)C(C)=C(C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C2=O |&1:18,23,r|

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 13.7% (17 of 124) of reports.WarningH317 (83.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보Chemical: 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-Regulation (EC) No 1831/2003 (amended)Vitamin K1: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약Reports of allergic contact dermatitis from cosmetic productsAlthough the risk for sensitization from cosmetic products containing 1% Vitamin K1 cannot be quantified from the available data, case reports show that Vitamin K1 is a contact allergen in man. In cases of pre-existing sensitization acquired by topical application of Vitamin K1 present in cosmetics, an individual might not be able to receive Vitamin K1 therapeutically or experience allergic reactions upon Vitamin K1 treatment. Therefore, the SCCS considers that vitamin K1 is not safe when used in cosmetic product in a concentration up to 1%. [SCCS (Scientific Committee on Consumer Safety), Opinion on vitamin K1 (phytonadione), 23 March 2010] Severe hypersensitivity reactions have been reported after IV and IM injection[Olson, p. 633-4] May cause irritation[Sigma-Aldrich MSDS]
FDA 요건The US Food and Drug Administration ... requires that all infant formula sold in the USA contain a minimum of 4 ug/100 kcal (0.2 mg/kg) of vitamin Kand that any vitamin K added shall be in the form of phylloquinone.The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl phytonadione, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and CategoriesSkin Sens. 1B (83.9%)
보관 조건KEEP WELL CLOSED & PROTECTED FROM LIGHT.The drug is photosensitive and must be protected from light at all times. Infusion solutions should be protected from light by wrapping the container with aluminum foil or other opaque material. Phytonadione tablets should be stored in well-closed, light-resistant containers.
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
상호 작용Vit k antagonizes inhibitory effect of /acenocoumarol, phenprocoumon, anisindione, diphenadione, & phenindione/ on hepatic synthesis of vit k-dependent clotting proteins... /vit k/Requirements for vitamin K may be increased in patients receiving /broad-spectrum antibiotics, moxalactam, quinidine, quinine, high doses of salicylates, or antibacterial sulfonamides/.Concurrent use /with dactinomycin/ may decrease the effects of vitamin Kevidence is inconclusive, observation of patients is recommended and a higher dose of vitamin K may be required. /Vitamin K/Concurrent use /of coumarin- or indandione-derivative anticoagulants/ with vitamin K may decrease the effects of these anticoagulants as a result of increased hepatic synthesis of procoagulant factors. When reinstituting oral anticoagulant therapy after the administration of large doses of vitamin K, it may be necessary to temporarily increase the dose of the oral anticoagulant, or to use one such as heparin that acts on a different principle. /Vitamin K/For more Interactions (Complete) data for PHYTONADIONE (18 total), please visit the HSDB record page.
유해 작용Most adverse effects from phytonadione occur with IV, SQ, and IM administration:
노출 경로Subcutaneous, Intramuscular, Intravenous injection. Oral phylloquinone is adequately absorbed from the gastrointestinal tract only if bile salts are present. After absorption, phylloquinone is initially concentrated in the liver, but the concentration declines rapidly. Very little vitamin K accumulates in tissues.
독성 요약Doses up to 50 mg have been used. The majority of toxicity occurs when given by IV.Vitamin K is an essential cofactor for the gamma-carboxylase enzymes which catalyze the posttranslational gamma-carboxylation of glutamic acid residues in inactive hepatic precursors of coagulation factors II (prothrombin), VII, IX and X. Gamma-carboxylation converts these inactive precursors into active coagulation factors which are secreted by hepatocytes into the blood. Supplementing with Phylloquinone results in a relief of vitamin K deficiency symptoms which include easy bruisability, epistaxis, gastrointestinal bleeding, menorrhagia and hematuria.
Natural Pollution SourcesFAT-SOL VIT OCCURRING NATURALLY AS TRANS ISOMER. ... FIRST ISOLATED FROM ALFALFAALSO SHOWS WIDESPREAD DISTRIBUTION IN HIGHER GREEN PLANTS: DAM ET AL, HELV CHIM ACTA 22, 310 (1939).Phylloquinone is widely distributed in higher plants and in some blue-green algae. It is present in many foods, especially leafy green vegetables and some vegetable oils.
Human Toxicity Excerpts/HUMAN EXPOSURE STUDIES/ To determine whether vitamin K administration affects urinary calcium excretion in postmenopausal women. Before- and after-trials with a 2-week treatment period. Healthy postmenopausal women (55 to 75 years old) were recruited from the convents in and around Maastricht. Controls (25 to 40 years old) were healthy premenopausal volunteers. Daily administration of 1 mg of vitamin K for 2 weeks. Serum immunoreactive osteocalcin: hydroxylapatite binding (HAB) capacity of serum immunoreactive osteocalcinexcretion of calcium, hydroxyproline, and creatinine in the urine during the last 2 h of a 16-h fasting period. In premenopausal women, no effect of vitamin K administration was seen. In the postmenopausal group, vitamin K induced increased serum immunoreactive osteocalcin concentrationnormalization of the HAB capacity of serum immunoreactive osteocalcin (this marker was less than 50% that of the controls in the pretreatment samples)a decrease in urinary calcium excretion, notably in the "fast losers" of calciumand a parallel decrease in urinary hydroxyproline excretion in the fast losers of calcium. The serum immunoreactive osteocalcin level may vary with vitamin K status. This variance should be taken into consideration if osteocalcin is used as a marker for osteoblast activity. Vitamin K is one factor that may play a role in the loss of bone mass in postmenopausal osteoporosis./EPIDEMIOLOGY STUDIES/ A retrospective review of anaphylaxis after i.v. phytonadione over a 58-month period at a large academic center was performed. During the period of the study a protocol for the administration of i.v. phytonadione was in place. A review of computerized records and survey of staff identified cases of anaphylaxis meeting predefined inclusion criteria. In addition, a literature review was performed for articles concerning anaphylaxis after i.v. phytonadione. Over the 58 months of the study, a total of 6,572 doses of i.v. phytonadione were administered. Two cases of anaphylaxis after i.v. phytonadione were identified. The incidence of anaphylaxis was 3 per 10,000 doses with 95% confidence intervals of 0.04 to 11 per 10,000 doses. The literature review identified 14 cases meeting inclusion criteria with no reviews of the literature or estimates of incidence. The incidence of anaphylaxis after i.v. phytonadione is overall comparable or slightly less than other drugs known to cause anaphylaxis.
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)
Drug Induced Liver InjuryDrug Induced Liver Injury Rank (DILIrank 2.0)PhytonadionevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ The offspring of mice treated with phylloquinone by injection had cleft lip and exencephaly. Six pregnant Sprague-Dawley rats were dosed with 10 mg/kg body weight phylloquinone (Konakion) daily on days 9-20 of gestation, and the fetuses were delivered on day 21 and examined for external malformations and the presence of hemorrhages only. No adverse effects were noted when compared with a group of five untreated controls./GENOTOXICITY/ In fetal sheep that received a catheter in the femoral vein 10-15 days before term, phylloquinone significantly increased the frequency of sister chromatid exchange in peripheral blood lymphocytes sampled 24 hours later./GENOTOXICITY/ /Phytonadione/ ... at concentrations up to 2,000 mcg/plate with or without metabolic activation, was negative in the Ames microbial mutagen test./GENOTOXICITY/ /Phylloquinone/ ... enhanced the frequency of sister chromatid exchange in cultured human maternal lymphocytes at concentrations that are relevant in vivo, and a similar increase in sister chromatid exchange frequency was observed in cultured lymphocytes from human placental blood.
Populations at Special RiskSRP: Persons with bleeding disorders or who are taking anticoagulants should be protected from exposure.
Evidence for CarcinogenicityEvaluation: There is inadequate evidence in humans for the carcinogenicity of vitamin K. There is inadequate evidence in experimental animals for the carcinogenicity of vitamin K. Overall evaluation: Vitamin K is not classifiable as to its carcinogenicity to humans (Group 3). /Vitamin K/
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation