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2-Methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)naphthalene-1,4-dione

HCID 4056
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
11032-49-8
Standard SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
InChIKey
DKHGMERMDICWDU-UHFFFAOYSA-N
Molecular formula
C31H40O2
Average molar mass
444.6 g/mol
Monoisotopic mass
444.30283051

Overview

See also: Menaquinone 7 (annotation moved to).

Names & identifiers

Preferred name
2-Methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)naphthalene-1,4-dione
IUPAC
2-methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)naphthalene-1,4-dione
English name
Vitamin K2
Molecular formula
C31H40O2
Molecular weight
444.65

Names & synonyms

DTXSID608595512-methyl-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl)naphthalene-1,4-dioneRefChem:1063701DTXCID10809768vitamin K2Vitamin K2(MK-4);Menaquinone K4Menadione sodium bisulfite;Vitamin K3 sodium bisulfiteVitamin K2 (Menaquinone)SCHEMBL571912orb1305653orb16967822-Methyl-3-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetrenyl)-1,4-naphthoquinone
Show more names
MK-4MENAQUINONEmenaquinone (k2)MenaquinonesMENAQUINONE 4VITAMIN K2(MENAQUINONE-7)(SH)Vitamin K2(20) ,MK-4VITAMIN K2(MENAQUINONE 4)
MK4s5082AKOS030243063NCGC00181325-02

Database identifiers

CAS
11032-49-8、6041-00-5

Properties

Computed structural properties

XLogP
8.9
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
33
Formal charge
0
Complexity
855

Physicochemical properties

storage temp.
20 °C · −20°C
form
Solid
color
Light yellow to yellow
Major Application
pharmaceutical (small molecule)
InChIKey
DKHGMERMDICWDU-GHDNBGIDSA-N
SMILES
C12C=CC=CC=1C(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C2=O
FDA UNII
71 ANL51TLA · 71ANL51TLA
UNSPSC Code
41116107 · 41116107
NACRES
24 · NA.24
Hazard Codes
Xi
Safety Statements
22 · 22-24/25-37/39-26
WGK Germany
3 · 3
RTECS
9279500 · QL9279500
Storage Class
11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

wgk
3
rtecs
QL9279500
hazard_code
Xi
safety_code
22-24/25-37/39-26
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications · 3 items

DescriptionVitamin K2 is a naturally occurring vitamin that contains the basic structure of menadione and has anti-bleeding effects. It is a yellow crystal or oily liquid at room temperature, insoluble in water, soluble in organic solvents and vegetable oils, heat-resistant, but easily affected by light damage.

UsesVitamin K2 is a natural vitamin that is produced by gut bacteria. It is suitable for hemostasis: obstructive jaundice, biliary fistula, chronic diarrhea, hemorrhage in neonates, premature infants, and secondary vitamin K deficiency caused by long-term use of broad-spectrum antibiotics, sulfonamides, and excessive use of coumarins, salicids Bleeding from acid.

UsesVitamin K2 is an endogenous metabolite.

Suppliers102 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创之源生物科技有限公司13012111162 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8003 13259417953 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
陕西富聚源生物科技有限公司17319979867 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
湖北中科新辰科技有限公司

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
4056
DTXSID
DTXSID60859551
EC Number
234-264-5
欢迎详询 加微信 18827688560 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Nanjing Shizhou Biotechnology Co., Ltd+86-15850508050 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
山东鲁祥药业有限公司530-19050550419 19050550419 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖南复瑞生物医药技术有限责任公司15901640172,19275032510 15901640172 · [email protected]
陕西帕尼尔生物科技有限公司13720616393;029-84385017-8003 13720616393 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
Qiuxian Baitai New Material Co., LTD+86-19932103556 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
BOC Sciences16314854226 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
Additional notes · 1 item

DefinitionChEBI: Menaquinone-4 is a menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration. It has a role as a bone density conservation agent, a human metabolite, an antioxidant, an anti-inflammatory agent and a neuroprotective agent.