929202-03-9 Purity
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The molecular formula of 3 Beta-azidocholyl-2-iodohistamine is C29H47IN6.
The synonyms for 3 Beta-azidocholyl-2-iodohistamine are not provided in the reference.
The molecular weight of 3 Beta-azidocholyl-2-iodohistamine is 606.6 g/mol.
3 Beta-azidocholyl-2-iodohistamine was created on February 16, 2015.
3 Beta-azidocholyl-2-iodohistamine was last modified on December 30, 2023.
The IUPAC name of 3 Beta-azidocholyl-2-iodohistamine is (3S,10S,13R,17R)-3-azido-N-[2-(2-iodo-1H-imidazol-5-yl)ethyl]-10,13-dimethyl-17-[(2R)-pentan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-amine.
The InChI of 3 Beta-azidocholyl-2-iodohistamine is InChI=1S/C29H47IN6/c1-5-6-19(2)23-9-10-24-22-8-7-20-17-29(35-36-31,33-16-12-21-18-32-26(30)34-21)15-14-27(20,3)25(22)11-13-28(23,24)4/h18-20,22-25,33H,5-17H2,1-4H3,(H,32,34)/t19-,20?,22?,23-,24?,25?,27+,28-,29+/m1/s1.
The InChIKey of 3 Beta-azidocholyl-2-iodohistamine is QMAJIFNBMKVQPN-MHFCOAINSA-N.
The canonical SMILES of 3 Beta-azidocholyl-2-iodohistamine is CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(NCCC5=CN=C(N5)I)N=[N+]=[N-])C)C.
3 Beta-azidocholyl-2-iodohistamine has 2 hydrogen bond donor counts.