기본 정보
- CAS
12001-79-5- 표준 SMILES
CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O- InChIKey
MBWXNTAXLNYFJB-LKUDQCMESA-N- 분자식
- C31H46O2
- 평균 분자량
- 450.7 g/mol
- 단동위원소 질량
- 450.34978071
개요
2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.
이름 및 식별자
- 우선 이름
- Vitamin K
- IUPAC
- 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
- 영어명
- VITAMIN K1
- 분자식
- C31H46O2
- 분자량
- 450.7
이름 및 동의어
VITAMIN K12001-79-5DTXSID1052743RefChem:934090CHEBI:28384234-408-72-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione.alpha.-PhylloquinonePhythyl-menadion2-methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dioneMFCD000016833-methyl-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
이름 더 보기
vitamine K6E)-1C01628KanavitSynkavite7-Diphenyl-4VITAMIN K1 USP236-heptadien-3-oneVitamin K substances
2-methyl-3-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione2581046-19-527696-10-2C31H46O2EINECS 279-833-9(E)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione(E)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione13-((2E)-3,7,11,15-tetramethylhexadec-2-enyl)-2-methylnaphthalene-1,4-dione
데이터베이스 식별자
- CAS
12001-79-5、27696-10-2、79083-00-4、81818-54-4、84-80-0- PubChem CID
- 5280483
- DTXSID
DTXSID501369321- ChEMBL
CHEMBL520156- ChEBI
CHEBI:94399- EC Number
- 234-408-7、279-052-3
- Nikkaji
- J20.960K、J3.787.784K
물성
구조 계산 물성
- XLogP
- 10.9
- 극성 표면적
- 34.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 696
실험 및 물리화학적 성질
DrugsPharmaceuticals
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Dietary IngredientsVitamin K
Human Drugs
Breast Feeding; Lactation; Milk, Human; Vitamins; Antifibrinolytic Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 20 °C · −20 °C(lit.)
- 밀도
- 0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.527(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 점성 액체
- 색상
- Light yellow to yellow
- LogP
- 10.305 · 10.305 (est)
- EPA
- Vitamin K (12001-79-5)
안전 및 규제
유해성 정보
Regulatory Information
Chemical: Vitamin K
Vitamin K: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
독성 정보
Adverse Effects
Currently, there is no known toxicity is associated with high doses of vitamin K1 or vitamin K2. Therefore, there is no designated upper intake level (UL). Despite this, an allergic reaction is possible with either version of vitamin K. Vitamin K1 has had documented associations with bronchospasm and cardiac arrest with IV administration. The oral form of vitamin K does not seem to cause severe reactions.
Exposure Routes
Subcutaneous, 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.
Toxicity Summary
Vitamin K toxicity is extremely rare. The only reported toxicity comes from menadione, which has no use in humans. Its toxicity is thought to be associated with its water-soluble properties. When toxicity does occur, it manifests with signs of jaundice, hyperbilirubinemia, hemolytic anemia, and kernicterus in infants.
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.
Carcinogen Classification
Vitamin K substances
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 76: (2000) Some Antiviral and Antineoplastic Drugs, and Other Pharmaceutical Agents
2000
1999
3, not classifiable as to its carcinogenicity to humans. (L135)
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation
◈ What is vitamin K?
Toxicity DataLD50: 41.5 mL/kg at 0.2% (Intravenous, Mouse) (A308)
LD50: 52 mL/kg at 1% (Intravenous, Mouse) (A308)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ5800000
- 독성
- mouse,LD50,subcutaneous,700mg/kg (700mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.
- 기존화학 물질
- KE-35396
- F 고인화성물질
- 1-8-10
화학 및 산업
약리 정보
Metabolism/MetabolitesRoute of Elimination: Almost no free unmetabolized vitamin K appears in bile or urine.
MeSH Pharmacological Classification
Agents that prevent fibrinolysis or lysis of a blood clot or thrombus. Several endogenous antiplasmins are known. The drugs are used to control massive hemorrhage and in other coagulation disorders.
Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body.
용도 및 제조
UsesFor the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia.
General Manufacturing InformationVitamin K: INACTIVE
관련 반응
3건
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