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7,7-Azo-3-Alpha,12-Alpha-dihydroxytaurocholanic Acid Sodium Salt, TRC

Artikelnummer. 30180252
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30180252 10 mg
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Artikelnummer. 30180252 Leverandør Toronto Research Chemicals Leverandørnr. TRCA94500010MG

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Kemiske identifikatorer

CAS 72741-86-7
Molekylær formel C52 H86 N4 O12 S2 . 2 Na
Molekylvægt (g/mol) 1069.37
IUPAC navn disodium;2-[[(4R)-4-[(3R,8R,9S,10S,12S,13R,14S,17R)-7-[(E)-[(3R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-17-[(2R)-5-oxo-5-(2-sulfonatoethylamino)pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]diazenyl]-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
SMIL [Na+].[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N=NC5CC6C[C@H](O)CC[C@]6(C)[C@H]7C[C@H](O)[C@]8(C)[C@H](CC[C@H]8[C@H]57)[C@H](C)CCC(=O)NCCS(=O)(=O)[O-]

Tekniske data

Kemisk navn eller materiale 7,7-Azo-3-a,12-a-dihydroxytaurocholanic Acid, Sodium Salt
Mængde 10 mg
InChI formel InChI=1S/C52H88N4O12S2.2Na/c1-29(7-13-45(61)53-19-21-69(63,64)65)35-9-11-37-47-39(27-43(59)51(35,37)5)49(3)17-15-33(57)23-31(49)25-41(47)55-56-42-26-32-24-34(58)16-18-50(32,4)40-28-44(60)52(6)36(10-12-38(52)48(40)42)30(2)8-14-46(62)54-20-22-70(66,67)68;;/h29-44,47-48,57-60H,7-28H2,1-6H3,(H,53,61)(H,54,62)(H,63,64,65)(H,66,67,68);;/q;2*+1/p-2/b56-55+;;/t29-,30-,31?,32?,33-,34-,35-,36-,37+,38+,39+,40+,41?,42?,43+,44+,47+,48+,49+,50+,51-,52-;;/m1../s1
Formel vægt 1068.5479
Produkttitel
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