Chem
J-GLOBAL ID:200907030199511587
Nikkaji number:J2.531C
Octotiamine
オクトチアミン
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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:
C23 H36 N4 O5 S3
Molecular formula furigana:
C23-H36-N4-O5-S3
Molecular weight:
544.740
InChI:
InChI=1S/C23H36N4O5S3/c1-16(27(15-29)14-19-13-25-17(2)26-23(19)24)21(9-11-28)35-33-12-10-20(34-18(3)30)7-5-6-8-22(31)32-4/h13,15,20,28H,5-12,14H2,1-4H3,(H2,24,25,26)
InChI key:
VJTXQHYNRDGLON-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(CCSSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)SC(=O)C
Systematic name (4):
6-アセチルチオ-8-[[2-[[(4-アミノ-2-メチル-5-ピリミジニル)メチル](ホルミル)アミノ]-1-(2-ヒドロキシエチル)-1-プロペニル]ジチオ]オクタン酸メチル
6-(アセチルチオ)-8-[[2-[[(4-アミノ-2-メチル-5-ピリミジニル)メチル]ホルミルアミノ]-1-(2-ヒドロキシエチル)-1-プロペニル]ジチオ]オクタン酸メチル
メチル 6-(アセチルスルファニル)-8-[(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-ヒドロキシペンタ-2-エン-3-イル)ジスルファニル]オクタノアート
methyl 6-(acetylsulfanyl)-8-[(2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-hydroxypent-2-en-3-yl)disulfanyl]octanoate
Other name (11):
ノイビタン
ゲロストップ
オクトチアミン
TATD
Gerostop
Neuvitan
Octotiamine
6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl
6-Acetylthio-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester
6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl ester
ノイビタ
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CAS registry number:
137-86-0
Regulation number (2):
Application (1):
metabolic drug
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