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Translations:Octotiamine/1/en: Difference between revisions
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Message definition (
Octotiamine
)
{{Short description|Chemical compound}}
{{Drugbox
| IUPAC_name = methyl 6-(acetylsulfanyl)-8-<nowiki/>{[(2E)-2-<nowiki/>{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]disulfanyl}octanoate
| image = Octotiamine.svg
| width = 250
| image2 = Octotiamine 3D.png
| width2 = 160
| CAS_number = 137-86-0
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = UN1Q7096GA
| ATC_prefix = None
| ATC_suffix =
| PubChem = 3034020
| DrugBank =
| ChemSpiderID = 2298574
| chemical_formula =
| C=23 | H=36 | N=4 | O=5 | S=3
| SMILES = Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCO)/SSCCC(CCCCC(=O)OC)SC(=O)C)/C
| StdInChI = 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+
| StdInChIKey = VJTXQHYNRDGLON-LTGZKZEYSA-N
| bioavailability =
| protein_bound =
| metabolism =
| elimination_half-life =
| excretion =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category=
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =
}}
Chemical compound
Octotiamine/1/en
Clinical data
ATC code
None
Identifiers
IUPAC name
methyl 6-(acetylsulfanyl)-8-{[(2E)-2-{[(4-amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino}-5-hydroxy-2-penten-3-yl]disulfanyl}octanoate
CAS Number
137-86-0
PubChem
CID
3034020
ChemSpider
2298574
UNII
UN1Q7096GA
Chemical and physical data
Formula
C
23
H
36
N
4
O
5
S
3
Molar mass
544.74
g·mol
−1
3D model (
JSmol
)
Interactive image
SMILES
Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCO)/SSCCC(CCCCC(=O)OC)SC(=O)C)/C
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)/b21-16+
Key:VJTXQHYNRDGLON-LTGZKZEYSA-N
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