Basic Information |
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Product Name: | SODIUM GLYCOCHOLATE HYDRATE |
CAS: | 863-57-0 ;338950-81-5 ;207614-05-9 |
English Synonyms: | GLYCOCHOLIC ACID SODIUM SALT ; 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID N-(CARBOXYMETHYL)AMIDE SODIUM SALT HYDRATE ; N-CHOLYLGLYCINE SODIUM SALT HYDRATE ; N-(3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-24-OXOCHOLAN-24-YL)GLYCINE SODIUM SALT HYDRATE ; SODIUM GLYCOCHOLATE HYDRATE ; GLYCINE, N-[(3ALPHA,5BETA,7ALPHA,12ALPHA)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL]-, SODIUM SALT, HYDRATE (1:1:X) ; GLYCOCHOLIC ACID SODIUM SALT HYDRATE |
MDL Number.: | MFCD09037360 |
H bond acceptor: | 7 |
H bond donor: | 4 |
Smile: | C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+] |
InChi: | InChI=1S/C26H43NO6.Na.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;1H2/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1 |
InChiKey: | InChIKey=YWROUPFMHKARON-HJRQWJHVSA-M |
Property |
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Melting Point: | 210-215 DEG C (SUBL)(LIT) |
Comments: | CMC: 7 MM(20-25 DEG C) OPTICAL ACTIVITY: [ALPHA]20/D +30 DEG, C = 1 IN H2O UNSPSC: 12352100 WGK: 3 |
Information: | AGGREGATION NUMBER: 2 MW: MICELLAR AVG MOL WT 1000 |
Safety information |
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