Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Riboflavin tetrabutyrate	752-56-7	92140

Structure

Other Information

Canonical SMILES	CCCC(=O)OCC(C(C(CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
Iso SMILES	CCCC(=O)OC[C@H]([C@H]([C@H](CN1C2=C(C=C(C(=C2)C)C)N=C3C1=NC(=O)NC3=O)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI	InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1
InChI Key	MJNIWUJSIGSWKK-BBANNHEPSA-N
Formula	C33H44N4O10
Mol Weight	656.723
XlogP3	4.1
Charge	0

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Synonyms Information

CAS Name	butanoic acid [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-tris(1-oxobutoxy)pentyl] ester
IUPAC Name	[(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)pentyl] butanoate
Openeye Name	[(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
Systematic Name	[(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]pentyl] butanoate
Tratitional Name	[(2R,3S,4S)-2,3,4-tri(butanoyloxy)-5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]pentyl] butanoate