염산싸이아민

Thiamine Hydrochloride

HCID 6202CAS 67-03-8

기본 정보

표준 SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]
InChIKey
DPJRMOMPQZCRJU-UHFFFAOYSA-M
분자식
C12H17N4OS.ClH.Cl
평균 분자량
337.3 g/mol
단동위원소 질량
336.05783756

개요

Thiamine hydrochloride is a hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. It has a role as an insect repellent. It is a vitamin B1 and a hydrochloride. It contains a thiamine(2+).

이름 및 식별자

우선 이름
Thiamine Hydrochloride
IUPAC
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
현지명
염산싸이아민
영어명
Thiamine hydrochloride
분자식
C12H17N4OS.ClH.Cl
분자량
337.27

이름 및 동의어

THIAMINE HYDROCHLORIDE67-03-8Thiamine HCLAneurine hydrochlorideVitamin B1 hydrochlorideClotiaminaEskaphenBetalin SThiamine chloride hydrochlorideThiamine dichlorideBevitineBenerva
이름 더 보기
베기올란베네르바베돔베린베비텍스베퀴운베타비온수화염화물베탁신베탈린S베티아진비비탄비타네우론비타민B1수화염화물아네우린수화염화물염산싸이아민티아독신티아미날티아미늄염화물수화염화물티아미돈티아민수화염화물THIAMINEthdVITAMIN B1 HCLVB1 HCLVitamin B1 ThiamineVIT B1FEMA 3322200-641-8
Thiamin chlorideThiaminum hydrochloricumThiamin hydrochlorideBiamineBetabion hydrochlorideFEMA No. 3322Thiamin dichlorideThiaminium chloride hydrochloride

데이터베이스 식별자

CAS
67-03-8
PubChem CID
6202
DTXSID
DTXSID0040622
ChEMBL
CHEMBL1200941
ChEBI
CHEBI:49105
UNII
M572600E5P
EC Number
200-641-8

물성

구조 계산 물성

극성 표면적
104 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
20

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Vitamins and Derivatives
CosmeticsSkin conditioning
Food AdditivesFLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Soluble in water, propylene glycol; Insoluble in ether, benzene, hexane, chloroform

Slightly soluble (in ethanol)

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
250 °C · 250 °C (dec.)(lit.)
밀도
1.3766 · 1.3766 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
FEMA
3322 · 3322 | THIAMINE HYDROCHLORIDE
인화점
9 °C · 9°C
저장 조건
room temp
화학적 성질 · 1건

Thiamine hydrochloride, also known as vitamin B1, is a white or almost white, crystalline powder or colorless crystals. It has an odor slightly reminiscent of thiazole and a bitter taste. Very soluble in water (1g dissolved in 1mL of water at 20℃), slightly soluble in ethanol, and insoluble in ether, benzene, chloroform, and acetone. The oxidation-reduction reaction can cause it to lose activity. When exposed to air, the vitamin rapidly absorbs about 4% of water.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.2% (247 of 373) of all reports.

Warning

H319 (33.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 373 reports by companies from 12 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26096

Thiamine hydrochloride: Non hazardous

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryForms a hydrate on absorbing water from atmospheric humidity; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Thiamine.
Hazard Classes and CategoriesEye Irrit. 2 (33.2%)

독성 정보

Health EffectsThere are no reports available of adverse effects from consumption of excess thiamine by ingestion of food and supplements. [Wikipedia]
Exposure RoutesOral; parenteral (intravenous, intramuscular). Absorbed mainly from duodenum, by both active and passive processes
Toxicity Summary · 1건

It is thought that the mechanism of action of thiamine on endothelial cells is related to a reduction in intracellular protein glycation by redirecting the glycolytic flux. Thiamine is mainly the transport form of the vitamin, while the active forms are phosphorylated thiamine derivatives. There are five known natural thiamine phosphate derivatives: thiamine monophosphate (ThMP), thiamine diphosphate (ThDP), also sometimes called thiamine pyrophosphate (TPP), thiamine triphosphate (ThTP), and the recently discovered adenosine thiamine triphosphate (AThTP), and adenosine thiamine diphosphate. Each derivative has unique functions, however, most are involved as coenzymes.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Thiamine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Toxicity DataLD50: 8224 mg/kg (Oral, Mouse) (A308) LD50: 3710 mg/kg (Oral, Rat) (A308)

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
XI7350000
독성
LD50 in mice (mg/kg): 89.2 i.v.; 8224 orally (Winter)
HS 번호
29362200
risk_code
36/37/38-39/23/24/25-23/24/25-11

화학 및 산업

약리 정보

Metabolism/MetabolitesHepatic
FDA Pharmacological Classification · 2건

METABOLIN

Increased Large Intestinal Motility [PE]; Cations, Divalent [CS]; Phosphate Chelating Activity [MoA]; Potassium Salt [EPC]; Stimulation Large Intestine Fluid/Electrolyte Secretion [PE]; Calcium [CS]; Potassium Compounds [CS]; Inhibition Small Intestine Fluid/Electrolyte Absorption [PE]; Amino Acids [CS]; Osmotic Laxative [EPC]; Magnesium Ion Exchange Activity [MoA]; Inhibition Large Intestine Fluid/Electrolyte Absorption [PE]; Increased Coagulation Factor Activity [PE]; Osmotic Activity [MoA]; Blood Coagulation Factor [EPC]; Phosphate Binder [EPC]; Calculi Dissolution Agent [EPC]; Amino Acid [EPC]

용도 및 제조

Uses · 2건

Used as a human and veterinary vitamin (enzyme cofactor); [Merck Index] An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and PELLAGRA. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. [ChemIDplus] Used as a flavoring agent and nutritional supplement for foods; [FDA] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

For the treatment of thiamine and niacin deficiency states, Korsakov's alcoholic psychosis, Wernicke-Korsakov syndrome, delirium, and peripheral neuritis. Thiamine (hydrochloride) is a food additive used to add a brothy/meaty flavor to gravies or soups.

Household ProductsInformation on 5 consumer products that contain Thiamine hydrochloride in the following categories is provided:
Use Classification · 5건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Skin conditioning

General Manufacturing InformationThiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1): ACTIVE
응용 분야 · 7건

개요비타민 B1이라고도하는 티아민은 탄수화물 대사에 필요한 이상한 영양소입니다. 비타민 B1은 또한 신경 기능에 관여합니다.

용도Thiamine Hydrochloride (비타민 B1 Hcl), Thiamine Nitrate (비타민 B1 모노 나이트 레이트)는 항산화 활성 및 적혈구 생성 특성을 갖는 비타민입니다. 그것은 또한 인식과 기분 조절, 항 죽상 경화증 같은 능력을 가질 것입니다. Thiamine Hcl은 간 및 신장에서 납의 유도 된 지질 과산화를 방지하는 것으로 입증되었습니다. 비타민 B1 염산염 결핍은 일부 동물 실험에서 선택적인 신경 세포 죽음을 초래할 수 있습니다. 신경 세포의 죽음은 자유 라디칼 생성 증가와 관련이 있으며 이는 산화 스트레스가 티아민 염산염 결핍과 관련된 뇌 손상에 중요한 역할을한다는 것을 시사한다. Thiamine Hcl은 세포 내 포도당 대사에 중요한 역할을하며, 티아민은 포도당과 인슐린이 동맥 평활근 세포 증식에 ​​미치는 영향을 억제한다고 생각됩니다. 이 효과는 아테롬성 경화증을 촉진시킬 수 있습니다. 비타민 B1 염산염 (티아민 Hcl) 내피 세포에 포도당의이 효력을 금한다.

개요Thiamine Hydrochloride is the hydrochloride salt form of thiamine (vitamin B1), a vitamin essential for aerobic metabolism, cell growth, transmission of nerve impulses and acetylcholine synthesis. Vitamin B1 helps prevent various health problems including heart damage.Thiamine hydrochloride is used to prevent and treat thiamine deficiency states, which may occur as a result of inadequate nutrition or intestinal malabsorption. It is also used for the treatment of Wernicke-Korsakoff syndrome, beriberi and thiamine deficiency related to chronic alcoholism. Thiamine hydrochloride is used as a food additive to add brothy/meaty flavor to gravies or soups. It is used also as a food supplement and flavoring ingredient with a bitter taste.

출처Rice husks are reportedly the principal source of vitamin B1; in variable amounts it is a constituent of yeast, milk, green leaves, roots and tubers; it is also present in high concentration in seeds, and in lesser amount in different animal organs and muscles.

역사Thiamine hydrochloride was the first water-soluble vitamin to be purified. In 1912, Cashmir Funk isolated thiamine from rice husks and coined the term ‘vitamine’ because it was required for life (‘vita’) and because thiamine contained nitrogen (‘amine’). Thiamine, formerly known as B1, is water soluble. Thiamine is a vital cofactor for enzymes and coenzymes of glycolysis, the Kreb’s cycle, the pentose phosphate pathway. Thiamine is also involved in the biosynthesis of the neurotransmitters acetylcholine and gamma-aminobutyric acid and in nerve propagation.

용도Thiamine is the water-soluble vitamin b1, required for normal digestion and functioning of nerve tissues and in the prevention of beriberi. It also acts as a coenzyme in the metabolism of carbohydrates. During processing, the higher and longer the heating period, the greater the loss. The loss is reduced in the presence of acid. Thiamine hydrochloride and thiamine mononitrate are two available forms. The mononitrate form is less hygroscopic and more stable than the hydrochloride form, making it suitable for use in beverage powders. It is used in enriched flour and is found as thiamine mononitrite in frozen egg substitute and crackers.

일반 설명Thiamine is a water-soluble vitamin of the B complex whose phosphate derivatives are involved in many cellular processes required for overall human health. Thiamine deficiency, often the result of impaired nutritional status associated with chronic diseases from alcoholism to HIV-AIDS, is monitored in patient whole blood samples by HPLC.

제조 방법

By linking the preformed thiazole and pyrimidine ring system.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
추가 설명 · 4건

순도시험(1) 용상 : 이 품목 1g을 물에 녹여 10mL로 할 때, 그 액의 색은 0.1N 중크롬산칼륨용액 1.5mL에 물을 가하여 1,000mL로 한 액의 색보다 진하여서는 아니 된다. (2) 액성 : 이 품목의 수용액(1→100)의 pH는 2.7~3.4이어야 한다. (3) 황산염 : 이 품목 1.5g을 취하여 황산염시험법에 따라 시험할 때, 그 양은 0.01N 황산 0.35mL에 대응하는 양 이하이어야 한다. (4) 납 : 이 품목 5.0g을 취하여 원자흡광광도법 또는 유도결합플라즈마발광광도법에 따라 시험할 때, 그 양은 2.0ppm 이하이어야 한다. (5) 질산염 : 이 품목 0.02g을 물에 녹여 20mL로 한 액 2mL에 황산 2mL를 가하여 흔들어 섞고 식힌 다음, 황산제일철시액 2mL를 가하여 층적할 때, 두 액층의 경계면에 갈색의 띠를 생성하여서는 아니 된다.

확인시험(1) 이 품목 5mg을 0.5N 수산화나트륨용액 5mL 및 페리시안화칼륨시액 0.5mL의 혼액에 녹여 n-부탄올 5mL를 가하여 2분간 강하게 흔들어 섞고 방치하여 액을 두층으로 분리시켜 위로부터 자외선을 쪼여 그 방향과 직각의 방향으로부터 상층액의 상부를 관찰하면 자청색의 형광을 볼 수 있다. 이 형광은 산성으로 하면 없어지고 알칼리성으로 하면 다시 나타난다. (2) 이 품목 5mg을 초산납시액 1mL 및 수산화나트륨용액(1→10) 1mL의 혼액에 녹일 때 액은 황색이 되고 수욕상에서 가온하면 갈색으로 변하며 방치하면 흑갈색의 침전이 생긴다. (3) 이 품목은 확인시험법 중 염화물의 반응을 나타낸다.

정량법이 품목 및 비타민B1염산염표준품(미리 이 품목과 같은 방법으로 수분을 측정하여 둔다) 약 0.1g씩을 정밀히 달아 각각에 염산(1→10,000)을 가하여 200mL씩으로 하고 다시 이 액 2mL씩을 정확히 취한 다음 염산(1→10,000)을 가하여 50mL씩으로 하고 각각을 시험용액 및 표준용액으로 한다. 이어 시험용액 5mL씩을 정확히 취하여 공전시험관 T 및 T''에 넣고 T에는 비타민B1정량용브롬화시안시액 3mL를 가하여 흔들어 섞고 다시 수산화나트륨용액(1→10) 5mL를 정확히 취하여 신속하게 가해 주고 흔들어 섞어준다. T''에는 수산화나트륨용액(1→10) 5mL를 정확히 취하여 가해 주고 흔들어 섞고 비타민B1정량용브롬화시안시액 3mL를 가하여 흔들어 섞어준다. 따로 표준용액 5mL씩을 정확히 취하여 공전시험관 S 및 S''에 넣고 시험용액과 같은 방법으로 시험을 행하고 각각의 액에 대해서 물을 대조액으로 하여 파장 368nm에서 흡광도 AT, AT'', AS 및 AS''를 측정하고 다음 계산식에 따라 함량을 구한다. 비타민B1정량용 브롬화시안시액 : 얼음으로 식힌물 100mL에 브롬 2mL를 가하여 심하게 흔들어 섞은 다음 얼음으로 식힌 치오시안화칼륨용액(1→10)을 브롬의 색이 확실히 탈색될 때까지 적가한다.

정의ChEBI: Thiamine hydrochloride is a hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid. It has a role as an insect repellent. It is a vitamin B1 and a hydrochloride. It contains a thiamine(2+).

관련 반응

42건

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