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Substance Name: Chenodiol magnesium
RN: 88442-80-2
UNII: JF1IDA502B
InChIKey: ALTUSCNIFSYQOT-QKDOFGDLSA-L

Molecular Weight

  • 807.4412
 
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Names and Synonyms

Name of Substance

  • Chenodiol magnesium

Synonyms

  • Chenodeoxycholate magnesium
  • Chenodeoxycholate magnesium [WHO-DD]
  • Magnesium, ((3alpha,5beta,7alpha)-3,7-dihydroxycholan-24-oato-kappaO)((3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oato-kappaO)-
  • UNII-JF1IDA502B

Registry Numbers

CAS Registry Number

  • 88442-80-2

FDA UNII

  • JF1IDA502B

System Generated Number

  • 0088442802

Structure Descriptors

InChI

1S/2C24H40O4.Mg/c2*1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h2*14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+2/p-2/t2*14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m11./s1

InChIKey

ALTUSCNIFSYQOT-QKDOFGDLSA-L

Smiles

C[C@H](CCC(=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.C[C@H](CCC(=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.[Mg+2]