奥托硫胺(137-86-0)名称与标识符
名称
英文别名:
Octanoic acid,6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propen-1-yl]dithio]-,methyl ester;methyl 6-acetylsulfanyl-8-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]octanoate;Octanoic acid,6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-...;Octanoic acid,6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propen-1-yl]dit;OCTOTIAMINE;Gerstop;neuvitan;gerostop;octiamine;Octotiamina [INN-Spanish];S-(3-Acetylthio-7-carbomethoxyheptylthio)thiamine;Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide;Thiamine(7-methoxycarbonyl-3-acetylthioheptyl) disulfide;octanoicacid,6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)fo;6-(Acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]octanoic acid methyl;DTXCID0031429;AKOS015903795;BDBM50024513;SCHEMBL182117;CHEMBL285358;CAS-137-86-0;starbld0009633;CS-0026219;TATD; Thiamine 8-(methyl 6-acetyldihydrothioctate) disulfide;Octotiamin;NCGC00319022-01;137-86-0;Tox21_113988;Q19598167;6-Acetylsulfanyl-8-[2-[(4-amino-2-methyl-pyrimidin-5-ylmethyl)-formyl-amino]-1-(2-hydroxy-ethyl)-propenyldisulfanyl]-octanoic acid methyl ester(ATD);DTXSID3057640;HY-105541;SCHEMBL182116;C90398;
标识符
InChIKey:
VJTXQHYNRDGLON-LTGZKZEYSA-N
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)/b21-16+
SMILES:
S(C(C)=O)C(CCSS/C(/CCO)=C(\C)/N(C=O)CC1=CN=C(C)N=C1N)CCCCC(=O)OC