Account Octotiamine
- Catalog No. :
- ACRDUS419
- CAS No. :
- 137-86-0
- Molecular Formula :
- C23H36N4O5S3
- Molecular Weight :
- 544.77
IUPAC Name:methyl 6-(acetylthio)-8-((2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)disulfaneyl)octanoate
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Product Information
| Product Name | Octotiamine |
|---|---|
| IUPAC Name | methyl 6-(acetylthio)-8-((2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-hydroxypent-2-en-3-yl)disulfaneyl)octanoate |
| Molecular Formula | C23H36N4O5S3 |
| Molecular Weight | 544.77 |
| SMILES | COC(=O)CCCCC(CCSSC(CCO)=C(C)N(C=O)CC1=CN=C(C)N=C1N)SC(C)=O |
| InChI Key | VJTXQHYNRDGLON-UHFFFAOYSA-N |
| Synonym | OCTOTIAMINE;gerostop;neuvitan;octanoicacid,6-(acetylthio)-8-((2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)fo;Octotiamina [INN-Spanish];Octanoic acid, 6-(acetylthio)-8-[[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-(2-hydroxyethyl)-1-propenyl]dithio]-, methyl ester (9CI);octiamine;S-(3-Acetylthio-7-carbomethoxyheptylthio)thiamine |
| CAS No. | 137-86-0 |
Synthetic Route by SureRoute
2. ACRDUS419 Molecular Building Block Synthetic Route
Disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) dibutyrate
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-(5-hydroxy-3-(propyldisulfaneyl)pent-2-en-2-yl)formamide
N,N'-((2Z,2'Z)-Disulfanediylbis(5-hydroxypent-2-ene-3,2-diyl))bis(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamide)