푸르술티민염산염
Fursultiamine Hydrochloride
기본 정보
- CAS
2105-43-3- 표준 SMILES
C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N.Cl- InChIKey
OPGOLNDOMSBSCW-CLNHMMGSSA-N- 분자식
- C17H27ClN4O3S2
- 평균 분자량
- 435 g/mol
- 단동위원소 질량
- 434.1213108
개요
Fursultiamine hydrochloride is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Fursultiamine Hydrochloride
- IUPAC
- N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide;hydrochloride
- 현지명
- 푸르술티민염산염
- 영어명
- Fursultimine hydrochloride
- 분자식
- C17H26N4O3S2.ClH
- 분자량
- 435.01
이름 및 동의어
fursultiamine hydrochlorideTTFD hydrochloride2105-43-3AlinaxinThiamine tetrahydrofurfuryl disulfide hydrochlorideT3557LWB27Thiamine tetrahydrofurfuryl disulfide HClUNII-T3557LWB27DTXCID801011781EINECS 218-278-9FURSULTIAMINE HYDROCHLORIDE [JP]FURSULTIAMINE HYDROCHLORIDE [JAN]
이름 더 보기
푸르술티민염산염Fursultimine hydrochlorideFURSULTIMINE HYDROCHLORIDE USP/EP/BPFursultiamine Hydrochloride （mixture of isomers）Thiamin tetrahydrofurfuryl disulfide hydrochlorideFormamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)N-(4-Amino-2-methylpyrimidin-5-ylmethyl)-N-{4-hydroxy-1-methyl-2-[(RS)-tetrahydrofuran-2-ylmethyldisulfanyl]but-1-en-1-yN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]but-1-en-1-yl]formamide monohydrochlorideFormamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]-, monohydrochloride (8CI)
FURSULTIAMINE HYDROCHLORIDE [WHO-DD]Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-((tetrahydrofurfuryl)dithio)-1-butenyl)-, hydrochlorideDTXSID8048602Alinaxin (TN)N-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-N-((1E)-4-HYDROXY-1-METHYL-2-((TETRAHYDROFURAN-2-YLMETHYL)DISULFANYL)BUT-1-EN-1-YL)FORMAMIDE HYDROCHLORIDEN-(4-Amino-2-methylpyrimidin-5-ylmethyl)-N-((1Z)-4-hydroxy-1-methyl-2-((2RS)-tetrahydrofuran-2-ylmethyldisulfanyl)but-1-en-1-yl)formamide monohydrochlorideN-(4-Amino-2-methylpyrimidin-5-ylmethyl)-N-{(1Z)-4-hydroxy-1-methyl-2-[(2RS)-tetrahydrofuran-2-ylmethyldisulfanyl]but-1-en-1-yl}formamide monohydrochlorideRefChem:141852
데이터베이스 식별자
- CAS
2105-43-3- PubChem CID
- 9845819
- ChEMBL
CHEMBL1705673- ChEBI
CHEBI:81714- UNII
- T3557LWB27
- EC Number
- 218-278-9
물성
구조 계산 물성
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 481
물리화학적 성질
- 녹는점
- 160 °C · 160 °C (decomp)
- 용해도
- DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
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