Menatetrenone (863-61-6),Menatetrenone (863-61-6) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Menatetrenone
CAS No.:
863-61-6
Molecular Structure:
Formula:
C₃₁H₄₀O₂
Molecular Weight:
444.65
Deleted CAS:
15261-37-7,20977-31-5,39776-41-5
Synonyms:
Vitamin K2(mk-4);1,4-Naphthalenedione,2-methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-;1,4-Naphthalenedione,2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-(9CI);2-Methyl-3-geranylgeranyl-1,4-naphthoquinone;Glakay;Kaytwo;MK4;Menaquinone4;Menaquinone K4;Vitamin K2(20);Vitamin MK 4;
Density:
0.994 g/cm³
Melting Point:
350 °C
Boiling Point:
570.6 °C at 760 mmHg
Flash Point:
208.3 °C
Appearance:
yellow crystals
Safety Description:
22-24/25 Details

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Chemistry

The molecular structure of Menatetrenone (CAS NO.863-61-6):

IUPAC Name: 2-Methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione
Molecular Weight: 444.6481 g/mol
Molecular Formula: C₃₁H₄₀O₂
Density: 0.994 g/cm³
Melting Point: 350 °C
Boiling Point: 570.6 °C at 760 mmHg
Flash Point: 208.3 °C
Index of Refraction: 1.538
Molar Refractivity: 139.92 cm³
Molar Volume: 446.8 cm³
Surface Tension: 36.7 dyne/cm
Enthalpy of Vaporization: 85.57 kJ/mol
Vapour Pressure: 4.97E-13 mmHg at 25 °C
Storage Temp.: −20 °C
XLogP3: 8.9
H-Bond Acceptor: 2
Rotatable Bond Count: 11
Tautomer Count: 27
Exact Mass: 444.302831
MonoIsotopic Mass: 444.302831
Topological Polar Surface Area: 34.1
Heavy Atom Count: 33
Canonical SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Isomeric SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI: InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
InChIKey: DKHGMERMDICWDU-GHDNBGIDSA-N
Product Categories: Vitamins and derivatives; Osteoporosis; Intermediates & Fine Chemicals; Pharmaceuticals

Uses

Menatetrenone (CAS NO.863-61-6) is used as Vitamin (prothrombogenic). It is also used as a hemostatic agent and as adjunctive therapy for the pain of osteoporosis.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 1gm/kg (1000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
dog	LD	unreported	> 3gm/kg (3000mg/kg)		Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 2518, 1995.
dog	LD50	intravenous	> 40mL/kg (40mL/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BLOOD: PIGMENTED OR NUCLEATED RED BLLOD CELLS	Kiso to Rinsho. Clinical Report. Vol. 25, Pg. 2003, 1991.
monkey	LD50	intravenous	> 10mL/kg (10mL/kg)	BLOOD: CHANGES IN CELL COUNT (UNSPECIFIED)	Kiso to Rinsho. Clinical Report. Vol. 25, Pg. 2003, 1991.
mouse	LD	oral	> 5mg/kg (5mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
mouse	LD50	intravenous	> 40mL/kg (40mL/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 25, Pg. 2003, 1991.
mouse	LDLo	intraperitoneal	5gm/kg (5000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
mouse	LDLo	subcutaneous	5gm/kg (5000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
rabbit	LD	intravenous	> 100mg/kg (100mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 461, 1971.
rabbit	LDLo	subcutaneous	100mg/kg (100mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 461, 1971.
rat	LD	oral	> 5gm/kg (5000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
rat	LD	subcutaneous	> 5gm/kg (5000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.
rat	LD50	intravenous	> 40mL/kg (40mL/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Kiso to Rinsho. Clinical Report. Vol. 25, Pg. 2003, 1991.
rat	LDLo	intraperitoneal	5gm/kg (5000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 445, 1971.

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: QL9279500
An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

Menatetrenone (CAS NO.863-61-6) is also named as 2-Methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-naphthochinon ; 2-Methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,4-naphthoquinone ; 2-Methyl-3-geranylgeranyl-1,4-naphthoquinone ; 2-Methyl-3-trans-tetraprenyl-1,4-naphthoquinone ; E3100 ; K2(sub 20) ; Kaytwo ; Kephton ; MK4 ; Menaquinone K4 ; Menaquinone-4 ; Menatetrenona ; Menatetrenona [INN-Spanish] ; Menatetrenonum ; Menatetrenonum [INN-Latin] ; UNII-27Y876D139 ; Vitamin K2(sub 20) ; Vitamin MK 4 . Menatetrenone (CAS NO.863-61-6) is yellow crystals.