Compound - Results

Thiamine (vit B1)

Java required.


Information Structure
Name Thiamine (vit B1)
Synonyms
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydrox Yethyl)-4-methylthiazolium Chloride
3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium Chloride
Aneurine
Apatate Drape
B-Amin
Beivon
Betabion
Bethiamin
CCRIS 5823
EINECS 200-425-3
HSDB 220
Oryzanin
Oryzanine
Thiamin
Thiamine
Thiamine (vit B1)
Thiamine Monochloride
Thiamine, Chloride
Thiaminum
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- Chloride
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-chloride
Tiamina
Vitamin B1
Vitaneurin
ATC A11DA01
CID 1130
CAS 000059438
Drugbank ID DB00152
TTD Drug ID DAP000870
Herbal origin bark of Largeleaf Chinese Ash
Deer Horn
Ephedra
Hairy Deer-horn (Hairy Antler)
Jian Qu
Muskmelon base
muskmelon stem
Rose Apple
seed of spine date
seed of true lacquertree
Starwort Root
Villous Amomum Fruit
SMILES CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1
Formula C12H17N4OS
Molweight 265.355
Atoms 18
LogP 1.1889
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
4B1Inducer 15328374
Sulbutiamine

Java required.


Information Structure
Name Sulbutiamine
Synonyms
5-25-12-00169 (Beilstein Handbook Reference)
Bisibutiamine
BRN 0741531
EINECS 221-937-3
O,O-Diisobutyrylthiamine Disulfide
O-Isobutyroylthiamine Disulfide
Sulbutiamina
Sulbutiamine
Sulbutiaminum
Thiamine Disulfide O,O-diisobutyrate
Vitaberin
ATC A11DA02
CID 20055424
CAS 003286462
SMILES CC(C)C(=O)OCCC(SSC(CCOC(=O)C(C)C)=C(/C)N(CC1=C(N)N=C(C)N=C1)C=O)=C(C)N(CC2=CN=C(C)N=C2N)C=O
Formula C32H46N8O6S2
Molweight 702.888
Atoms 48
LogP 7.122
Rotatable Bonds 21
H-Bond Donors 0
H-Bond Acceptors 12
Benfotiamine

Java required.


Information Structure
Name benfotiamine
Synonyms
22457-89-2
8088 C.b
8088 C.b.
ac-14448
ac1mhupb
b9636_sigma
benfothiamine
benfotiamina
benfotiamina [inn-spanish]
benfotiamine
benfotiamine [inn:dcf:jan]
benfotiaminum
benfotiaminum [inn-latin]
benphothiamine
benzoic Acid, Thio-, S-ester With N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide Dihydrogen Phosphate
benzoylthiamine Monophosphate
benzoylthiamine O-monophosphate
berdi
betivina
biotamin
bpbio1_000757
brn 0771326
bspbio_000687
btmp
btmp-benfo
c19h23n4o6ps
cb 8088
cid3032771
einecs 245-013-4
hms1570c09
hms2097c09
ls-38336
molport-001-830-007
n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate
ncgc00179477-01
neurostop
nitanevril
prestwick2_000654
prestwick3_000654
prestwick_68
s-benzoylthiamine Monophosphate
s-benzoylthiamine O-monophosphate
s-[(z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] Benzenecarbothioate
t1161
tabiomyl
thiamine Monophosphate Benzoyl
tl80090913
vitanevril
ATC A11DA03
CID 3032771
CAS cid3032771
Formula C32H46N8O6S2
Molweight 702.888
Atoms 48
LogP 7.122
Rotatable Bonds 21
H-Bond Donors 0
H-Bond Acceptors 12