THIONICOTINAMID-TPN SODIUM SALT

CAS No.
19254-05-8
CCD No.
CCD00050377
Formula
C21 H27 N7 O16 P3 S . Na
MolWeight
781.455

Basic Information

Product Name: THIONICOTINAMID-TPN SODIUM SALT
CAS: 19254-05-8
English Synonyms: ADENOSINE 5'-(TRIHYDROGEN DIPHOSATE), 2'-(SODIUM HYDROGEN PHOSPHATE), P',5'-ESTER WITH 3-(AMINOTHIOXOMETHYL)-1-BETA-D-RIBOFURANOSYLPYRIDIUM INNER SALT ; THIONICOTINAMIDE ADENINE DINUCLEOTIDEPHOSPHATE SODIUM SALT ; TRIPHOSPHOTHIOPYRIDINE NUCLEOTIDE SODIUM SALT ; THIONICOTINAMIDE-TPN SODIUM SALT ; THIONICOTINAMID-TPN SODIUM SALT
MDL Number.: MFCD00079598
H bond acceptor: 23
H bond donor: 7
Smile: c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)[O-])O)O)C(=S)N.[Na+]
InChi: InChI=1S/C21H28N7O16P3S.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(42-45(32,33)34)13(30)11(41-21)6-39-46(35,36)44-47(37,38)43-15-10(5-29)40-20(14(15)31)27-3-1-2-9(4-27)18(23)48;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
InChiKey: InChIKey=YIVBWJAEEXUSSB-QYZPTAICSA-M

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