Chem
J-GLOBAL ID:200907037871988022
Nikkaji number:J4.424E
Sulbutiamine
スルブチアミン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C32 H46 N8 O6 S2
Molecular formula furigana:
C32-H46-N8-O6-S2
Molecular weight:
702.890
InChI:
InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)
InChI key:
CKHJPWQVLKHBIH-UHFFFAOYSA-N
SMILES:
CC(C)C(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCOC(=O)C(C)C
Systematic name (4):
ビス(2-メチルプロピオン酸)[ジチオビス[3-[1-[[(4-アミノ-2-メチルピリミジン-5-イル)メチル](ホルミル)アミノ]エチリデン]-3,1-プロパンジイル]]
3,3′-ジチオビス[4-[N-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]-N-ホルミルアミノ]-3-ペンテン-1-オール]ビス(2-メチルプロピオナート)
4-{N-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]ホルムアミド}-3-[(2-{N-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]ホルムアミド}-5-[(2-メチルプロパノイル)オキシ]ペンタ-2-エン-3-イル)ジスルファニル]ペンタ-3-エン-1-イル 2-メチルプロパノアート
4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-[(2-methylpropanoyl)oxy]pent-2-en-3-yl)disulfanyl]pent-3-en-1-yl 2-methylpropanoate
Other name (12):
スルブチアミン
Sulbutiamine
3,3′-Dithiobis[4-[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-formylamino]-3-penten-1-ol] bis(2-methylpropionate)
ビスイブチアミン
Thiamine disulfide O,O-diisobutyrate
O-Isobutyrylthiamine disulfide
Bisibutiamine
チアミンジスルフィドO,O-ジイソブチラート
O-イソブチリルチアミンジスルフィド
Bis(2-methylpropionic acid)[dithiobis[3-[1-[[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino]ethylidene]-3,1-propanediyl]] ester
3,3′-Dithiobis[4-[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-formylamino]-3-penten-1-ol]bis(2-methylpropionate)
Bisibuthiamine
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CAS registry number:
3286-46-2
Regulation number (2):
Application (2):
vitamin B family
, metabolic drug
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