BECOCALCIDIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H36O2
Molecular Weight	344.5307
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3C[C@@H](O)C(=C)[C@H](O)C3)[C@@H](C)CC

InChI

InChIKey=QSLUXQQUPXBIHH-YHSKWIAJSA-N

InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H36O2
Molecular Weight	344.5307
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17596167 | https://adisinsight.springer.com/drugs/800018315

Becocalcidiol is a vitamin D analog participated in phase II clinical trials as a topical treatment for psoriasis. Therapy was safe and well tolerated, however further studies were discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

One hundred and eighty-five subjects with chronic plaque-type psoriasis affecting 2-10% of their body surface area took part in a multicentre, double-blind, parallel-group, vehicle-controlled, randomized controlled trial comparing topical application of placebo, becocalcidiol 75 microg g(-1) once daily (low dose) or becocalcidiol twice daily (high dose) for 8 weeks.

Route of Administration: Topical

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:15:40 UTC 2023` Edited by `admin` on `Fri Dec 15 16:15:40 UTC 2023`
Record UNII	N75R59YD0F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BECOCALCIDIOL

Official Name

English

BECOCALCIDIOL [USAN]

Common Name

English

DP-006

Code

English

QRX-101

Code

English

2MBISP

Code

English

1,3-CYCLOHEXANEDIOL, 2-METHYLENE-5-((2E)-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1S)-1-METHYLPROPYL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3R)-

Common Name

English

QRX101

Code

English

becocalcidiol [INN]

Common Name

English

(1R,3R)-2-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(1S)-1-methylpropyl]octahydro-4H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C39713