Chem
J-GLOBAL ID:200907080076343423   Nikkaji number:J439.006G

Falecalcitriol

ファレカルシトリオール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H38F6O3
Molecular formula furigana: C27-H38-F6-O3
Molecular weight: 524.588
InChI: InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
InChI key: XPYGGHVSFMUHLH-UUSULHAXSA-N
SMILES: C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@@H](O)C[C@H](O)C3=C)/CCC[C@]12C
Systematic name  (7):
  • [5Z,7E,(+)]-26,26,26,27,27,27-ヘキサフルオロ-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
  • (5Z,7E)-26,26,26,27,27,27-ヘキサフルオロ-9,10-セココレスタ-5,7,10(19)-トリエン-1α,3β,25-トリオール
  • 26,26,26,27,27,27-ヘキサフルオロ-1α,25-ジヒドロキシコレカルシフェロール
  • 1α,25-ジヒドロキシ-26,26,26,27,27,27-ヘキサフルオロコレカルシフェロール
  • (14S)-26,26,26,27,27,27-ヘキサフルオロ-1α,25-ジヒドロキシコレカルシフェロール
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Other name (35):
  • 26,26,26,27,27,27-ヘキサフルオロ-1α,25-ジヒドロキシビタミンD3
  • 26,26,26,27,27,27-Hexafluoro-1α,25-dihydroxyvitamin D3
  • 26,27-ヘキサフルオロ-1α,25-ジヒドロキシビタミンD3
  • 26,27-Hexafluoro-1α,25-dihydroxyvitamine D3
  • 26,26,26,27,27,27-Hexafluoro-1α,25-dihydroxycholecalciferol
Show all
CAS registry number: 83805-11-2
KEGG DRUG: D01662
Application (3):
vitamin D ,  drug for treatment of bone disease ,  drug for treatment of osteoporosis
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