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Substance Name: Dexamethasone 21-glucoside
RN: 88158-43-4
InChIKey: CBHWNVHRXOVHJV-INDGYWFMSA-N

Note

  • Prodrug of dexamethasone used in treating inflammatory bowel disease.

Molecular Formula

  • C28-H39-F-O10

Molecular Weight

  • 554.604
 
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Names and Synonyms

Name of Substance

  • Dexamethasone 21-glucoside

Synonym

  • Dexamethasone 21beta-D-glucoside

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-21-(beta-D-glucopyranosyloxy)-11,17-dihydroxy-16-methyl-, (11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 88158-43-4

System Generated Number

  • 0088158434

Structure Descriptors

InChI

1S/C28H39FO10/c1-13-8-17-16-5-4-14-9-15(31)6-7-25(14,2)27(16,29)19(32)10-26(17,3)28(13,37)20(33)12-38-24-23(36)22(35)21(34)18(11-30)39-24/h6-7,9,13,16-19,21-24,30,32,34-37H,4-5,8,10-12H2,1-3H3/t13-,16+,17+,18-,19+,21-,22+,23-,24?,25+,26+,27+,28+/m1/s1

InChIKey

CBHWNVHRXOVHJV-INDGYWFMSA-N

Smiles

C=1C(C=C2[C@@](C)(C1)[C@@]1([C@H]([C@H]3[C@](C)(C[C@@H]1O)[C@](C(=O)CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(O)[C@@H](C)C3)CC2)F)=O