기본 정보
- CAS
7771-57-5- 표준 SMILES
Cc1c(CCO)sc[n+]1Cc1cncnc1N- InChIKey
PWMQZXCKDPDSPD-UHFFFAOYSA-N- 분자식
- C11H15N4OS+
- 평균 분자량
- 251.33 g/mol
- 단동위원소 질량
- 251.09665729
이름 및 식별자
- 우선 이름
- Desmethylthiamine
- IUPAC
- 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
- 영어명
- Thiamine Impurity 2
- 분자식
- C11H15N4OS+
- 분자량
- 251.33
이름 및 동의어
Desmethylthiamine2-Northiamin7771-57-5K78Y4WB9BSThiamine Impurity BUNII-K78Y4WB9BSThiamine nitrate impurity B [EP]Thiamine hydrochloride impurity B [EP]3-((4-Amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazoliumThiazolium, 3-((4-amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium
이름 더 보기
Thiamine Impurity 2Thiamine Impurity 2 Monomer (Thiamine EP Impurity B Monomer)3-[(4-Aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium (Demethylthiamine)
THIAMINE NITRATE IMPURITY B [EP IMPURITY]THIAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
데이터베이스 식별자
- CAS
7771-57-5- PubChem CID
- 71751248
- UNII
- K78Y4WB9BS
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 1
- 복잡도
- 244
물리화학적 성질
- InChI
- InChI=1S/C11H15N4OS/c1-8-10(2-3-16)17-7-15(8)5-9-4-13-6-14-11(9)12/h4,6-7,16H,2-3,5H2,1H3,(H2,12,13,14)/q+1
- InChIKey
- PWMQZXCKDPDSPD-UHFFFAOYSA-N
- SMILES
- C(C1=CN=CN=C1N)[N+]1=CSC(CCO)=C1C
화학 및 산업
응용 분야
용도2-Northiamin is an impurity of Thiamine (T344185), an essential nutrient required for carbohydrate metabolism; also involved in nerve function. Biosynthesized by microorganisms and plants. Dietary sources include whole grains, meat products, vegetables, milk, legumes and fruit. Also present in rice husks and yeast. Converted in vivo to Thiamine diphosphate, a coenzyme in the decarboxylation of α-keto acids. Chronic deficiency may lead to neurological impairment, bariberi, Wernicke-Korsakoff syndrome.
공급사11 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
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