TETRASODIUM 2,2'-[(E)-1,2-ETHENEDIYL]BIS[5-([4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-6-[(4-SULFONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE]

CAS No.
37515-76-7
CCD No.
CCD08273026
Formula
C42 H38 N14 O14 S4 . 4 Na
MolWeight
1183.07

Basic Information

Product Name: TETRASODIUM 2,2'-[(E)-1,2-ETHENEDIYL]BIS[5-([4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-6-[(4-SULFONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE]
CAS: 37515-76-7
English Synonyms: TETRASODIUM 4,4'-BIS[[4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-6-[(4-SULPHONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULPHONATE ; TETRASODIUM 2,2'-[(E)-1,2-ETHENEDIYL]BIS[5-([4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-6-[(4-SULFONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE]
MDL Number.: MFCD23142746
H bond acceptor: 28
H bond donor: 6
Smile: c1cc(ccc1Nc2nc(nc(n2)N(CCC#N)CCO)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCC#N)CCO)Nc6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C42H42N14O14S4.4Na/c43-17-1-19-55(21-23-57)41-51-37(45-29-9-13-33(14-10-29)71(59,60)61)49-39(53-41)47-31-7-5-27(35(25-31)73(65,66)67)3-4-28-6-8-32(26-36(28)74(68,69)70)48-40-50-38(46-30-11-15-34(16-12-30)72(62,63)64)52-42(54-40)56(22-24-58)20-2-18-44;;;;/h3-16,25-26,57-58H,1-2,19-24H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b4-3+;;;;
InChiKey: InChIKey=HAMURXQOURMAQS-PLJHVDPMSA-J

* If the product has intellectual property rights, a license granted is must or contact us.