Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.6365 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@@H](O)C3=C
InChI
InChIKey=GMRQFYUYWCNGIN-PEJFXWBPSA-N
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.6365 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
1β-CALCITRIOL is an Impurity B of Calcitriol. Calcitriol(1,25-Dihydroxyvitamin D3; Rocaltrol ) is the hormonally active form of vitamin D, Calcitriol is the active metabolite of vitamin D3 that activates the vitamin D receptor (VDR). 1-epicalcitriol is a potent antagonist of 1,25(OH)2D3-induced intestinal calcium
transport (transcaltachia).
Approval Year
Sample Use Guides
The action of 1-epicalcitriol on the murine fibroblastic cell line C3H10T1⁄2 was examined over a concentration range of 10(-5)–10(-13) M. 1-epicalcitriol was the best proliferation-inhibitor of the A-ring derivatives of 1,25(OH)2D3 with 30% inhibition at 10(-10) M. 1-epicalcitriol was slightly more active
than NS3 and 25(OH)D3 with nearly three times higher
CAT-activity at 10(-8) M.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:57:02 GMT 2025
by
admin
on
Mon Mar 31 20:57:02 GMT 2025
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| Record UNII |
IR1PLU81NA
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| Record Status |
Validated (UNII)
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