기본 정보
- 표준 SMILES
CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O.[Na+]- InChIKey
XDPFHGWVCTXHDX-UHFFFAOYSA-M- 분자식
- C11H9NaO5S
- 평균 분자량
- 276.24 g/mol
- 단동위원소 질량
- 276.00683884
이름 및 식별자
- 우선 이름
- Menadione Sodium Bisulfite
- IUPAC
- sodium 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate
- 현지명
- 메나디온중아황산나트륨
- 영어명
- Menadione sodium bisulfite
- 분자식
- C11H11NaO5S
- 분자량
- 277.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
130-37-0、57414-02-5- PubChem CID
- 23665888
- DTXSID
DTXSID0040547- ChEMBL
CHEMBL2107211、CHEMBL2358118- ChEBI
CHEBI:63928- UNII
- 97K34V88SA
- EC Number
- 204-987-0、611-523-4
- Nikkaji
- J5.433J
물성
구조 계산 물성
- 극성 표면적
- 99.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 466
물리화학적 성질
- 녹는점
- 121 · 121-124°C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: ≥50mg/mL, 투명, 무색 ~ 희미한 노란색
- 물리적 상태
- Solid
- 색상
- White to off-white
- 생물학적 소스
- synthetic (organic)
- 수용성
- 50 mg/mL, · water: soluble 50mg/mL, clear, colorless to light yellow
- InChI
- InChI=1S/C11H10O5S.Na.H/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;;/h2-5H,6H2,1H3,(H,14,15,16);;
- InChIKey
- JWNUEPMMANLFQO-UHFFFAOYSA-N
- SMILES
- O=C1C(CC(=O)C2=CC=CC=C12)(C)S(O)(=O)=O.[NaH]
- EPA
- Menadione sodium bisulfite (130-37-0)
화학적 성질
white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation];H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt
Regulation (EC) No 1831/2003 (amended)
Menadione sodium bisulfite anhydrous: 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.
Hazard Classes and Categories
Skin Irrit. 2 (99.6%);Eye Irrit. 2 (100%);Aquatic Acute 1 (99.6%);Aquatic Chronic 1 (99.6%)
Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)
Eye irritation - category 2;Skin irritation - category 2;Hazardous to the aquatic environment (acute) - category 1;Hazardous to the aquatic environment (chronic) - category 1
Skin Irrit. 2;Eye Irrit. 2;Aquatic Acute 1;Aquatic Chronic 1
규제 정보
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 1,2,3,4-tetrahydro-2-methyl-1,4-dioxo-, sodium salt
Regulation (EC) No 1831/2003 (amended)
Menadione sodium bisulfite anhydrous: 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 36-50/53-36/38
- hazard_code
- Xi,N
- safety_code
- 26-61-60-24/25
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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
응용 분야
개요Menadione sodium bisulfite (MSB, also known as vitamin K3), is a crucial growth regulator mediating plant defense response. This substance is used clinically in China to treat hemorrhagic diseases caused by vitamin K deficiency and globally as a vitamin K supplement. This compound and its complex (MSBC) are water-soluble compounds. Menadione and the menadione sodium bisulfite complex are the sources of vitamin K activity in commercial laboratory rodent diets. Menadione possesses high biological activity, but its absorption depends on the amount of fat in the diet. Compared with Menadione, the menadione sodium bisulfite complex is more readily absorbed and is almost as active on a molar basis as phylloquinone. XTT, a tetrazolium salt, could converted to formazan in the presence of an electron coupling reagent such as menadione sodium bisulfite. The formed formazan does not need to be solubilized. Hence, the XTT test, a cytotoxicity evaluation method, is quicker and safer compared with MTT[1-2].
용도Menadione sodium bisulfite has been used:as a priming agent in tomato for improving salt toleranceto induce reactive oxygen species (ROS) in human lung epithelium BEAS-2B microtissuesto induce endogenous superoxide production in mouse C17.2 neural stem cells
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: An organic sodium salt that is the monosodium salt of menadione sulfonate. A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation i vivo.
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