Vitamin K

HCID 5280483
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Grundinformationen

CAS
12001-79-5
Standard-SMILES
CC1=C(C/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O
InChIKey
MBWXNTAXLNYFJB-LKUDQCMESA-N
Summenformel
C31H46O2
Durchschnittliche Molmasse
450,7 g/mol
Monoisotopische Masse
450,34978071

Überblick

2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione is a member of 1,4-naphthoquinones.

Namen und Bezeichner

Bevorzugter Name
Vitamin K
IUPAC
2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
Lokaler Name
Vitamin K
Englischer Name
VITAMIN K1
Summenformel
C31H46O2
Molmasse
450.7

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
10,9
Polarare Oberfläche (TPSA)
34,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
14
Schwere Atome
33

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Dietary IngredientsVitamin K
Human Drugs · 3 Einträge

Breast Feeding; Lactation; Milk, Human; Vitamins; Antifibrinolytic Agents

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

Schmelzpunkt
20 °C · −20 °C(lit.)
Dichte
0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.527(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · 2-8°C
Löslichkeit
Soluble in DMSO

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Toxikologische Informationen

Adverse Effects · 1 Eintrag

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 · 1 Eintrag

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 · 2 Einträge

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 · 6 Einträge

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 · 2 Einträge

◉ 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)

Sicherheitsdaten

F
1-8-10
wgk
2
tsca
TSCA listed
RTECS-Nr.
QJ5800000
Toxizität
mouse,LD50,subcutaneous,700mg/kg (700mg/kg),Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesRoute of Elimination: Almost no free unmetabolized vitamin K appears in bile or urine.
MeSH Pharmacological Classification · 2 Einträge

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.

Verwendung und Herstellung

UsesFor the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia.
General Manufacturing InformationVitamin K: INACTIVE

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