3ALPHA-HYDROXY-5BETA-CHOLAN 24-OIC ACID N-[CARBOXYMETHYL]AMIDE 3-SULFATE DISODIUM SALT

CAS No.
64936-82-9
CCD No.
CCD00050213
Formula
C26 H41 N O7 S . 2 Na
MolWeight
557.656

Basic Information

Product Name: 3ALPHA-HYDROXY-5BETA-CHOLAN 24-OIC ACID N-[CARBOXYMETHYL]AMIDE 3-SULFATE DISODIUM SALT
CAS: 64936-82-9
English Synonyms: 3ALPHA-HYDROXY-5BETA-CHOLAN 24-OIC ACID N-[CARBOXYMETHYL]AMIDE 3-SULFATE DISODIUM SALT
MDL Number.: MFCD00079324
H bond acceptor: 8
H bond donor: 1
Smile: C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.[Na+].[Na+]
InChi: InChI=1S/C26H43NO7S.2Na/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3;;/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33);;/q;2*+1/p-2/t16-,17-,18-,19+,20-,21+,22+,25+,26-;;/m1../s1
InChiKey: InChIKey=FXMCQRUEVPOMSC-DJOVSRRHSA-L

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