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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H45NO3
Molecular Weight 455.6725
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ECALCIDENE

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@@H](C)CCC(=O)N4CCCCC4

InChI

InChIKey=DXWZPQRKPXFQGC-QCUPEZPBSA-N
InChI=1S/C29H45NO3/c1-20(9-14-28(33)30-16-5-4-6-17-30)25-12-13-26-22(8-7-15-29(25,26)3)10-11-23-18-24(31)19-27(32)21(23)2/h10-11,20,24-27,31-32H,2,4-9,12-19H2,1,3H3/b22-10+,23-11-/t20-,24+,25+,26-,27-,29+/m0/s1

HIDE SMILES / InChI

Description

Ecalcidene (1-[(1alpha,3beta,5Z,7E,20S)-1,3-dihydroxy-24-oxo-9,10-secochola-5,7,10(19)-trien-24-yl]-piperidine) is a 1-hydroxyvitamin D analogue. Ecalcidene was being developed by Barrier Therapeutics as an oral therapy for psoriasis and acne. However, development has been discontinued.

Approval Year

Unknown
139,594

PubMed

ACTIVE MOIETY
Structure of ECALCIDENE
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