TAUROCHENODEOXYCHOLIC ACID SODIUM SALT

pro_cas
6009-98-9
pro_cdbregno
CCD00023756
pro_formula
C26 H44 N O6 S . Na
pro_molWeight
521.691

basic_info

Product_Name: TAUROCHENODEOXYCHOLIC ACID SODIUM SALT
CAS: 6009-98-9
EnglishSynonyms: 3ALPHA,7ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID N-(2-SULFOETHYL)AMIDE SODIUM SALT ; TAUROCHENODESOXYCHOLIC ACID SODIUM SALT ; 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA-DIOL N-(2-SULPHOETHYL)-AMIDE SODIUM SALT ; 5BETA-CHOLANIC ACID-3ALPHA,7ALPHA-DIOL-24-N-(2-SULFOETHYL)-AMIDE SODIUM ; TAUROCHENODEOXYCHOLIC ACID SODIUM SALT ; 2-([3ALPHA,7ALPHA-DIHYDROXY-24-OXO-5BETA-CHOLAN-24-YL]AMINO)ETHANESULFONIC ACID SODIUM SALT ; SODIUM TAUROCHENODEOXYCHOLIC ; TAUROCHENODEOXYCHOLIC ACID SODIUM ; SODIUM TAUROCHENODEOXYCHOLATE ; SODIUM TAUROCHENODEOXYCHOLIC ACID
pro_mdlNumber: MFCD00036745
pro_acceptors: 7
pro_donors: 3
pro_smile: C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
InChi: InChI=1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-;/m1./s1
InChiKey: InChIKey=IYPNVUSIMGAJFC-HLEJRKHJSA-M

property

secure_info

secure_wgk_germany: 3

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