Bisibutiamine

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate

Also Known As: Sulbutiamine|bisibutiamine|Bisibuthiamine|Sulbutiaminum|Bisibutiamin|Sulbutiamina|Arcalion|Vitaberin|Sulbutiamine [INN]|Sulbutiaminum [INN-Latin]|O-Isobutyroylthiamine disulfide|Sulbutiamina [INN-Spanish]|KS-00000FS1|O,O'-Diisobutyrylthiamine disulfide|EINECS 221-937-3|5-25-12-00169 (Beilstein Handbook Reference)|[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-3-[[2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-[2-(2-methylpropanoyloxy)ethyl]prop-1-enyl]disulfanyl]pent-3-enyl] 2-methylpropanoate|Bis(1-(2-isobutyryloxyethyl)-2-(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-propenyl)disulfid|Bis(1-(4-amino-2-methyl-5-pyrimidinyl)-2-formyl-3,9-dimethyl-8-oxo-2-aza-7-oxa-3-decen-4-yl)disulfid|Disulfanediylbis(2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}pent-2-ene-3,5-diyl) bis(2-methylpropanoate)

Molecular Formula	C32H46N8O6S2
Molecular Weight	702.29816 g/mol
LogP	4.69
Topological Polar Surface Area	196.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	19
Exact Mass	702.29816
Heavy Atoms	48
Complexity	1403.9

Chemical Identifiers

CAS Number	3286-46-2
SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCOC(=O)C(C)C)C