Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: D07AD01

Structure

InChI Key FCSHDIVRCWTZOX-DVTGEIKXSA-N
Smile C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
InChI
InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28ClFO4
Molecular Weight 410.91
AlogP 3.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Graft vs Host Disease 3 D006086 ClinicalTrials
Lichen Sclerosus et Atrophicus 3 D018459 ClinicalTrials
Pemphigoid, Bullous 2 D010391 ClinicalTrials
Lichen Planus, Oral 2 D017676 ClinicalTrials
Herpes Labialis 2 D006560 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Bronchiolitis Obliterans Syndrome 2 D000092122 ClinicalTrials
Vulvar Lichen Sclerosus 2 D007724 ClinicalTrials
Stevens-Johnson Syndrome 1 D013262 ClinicalTrials
Phlebitis 1 D010689 ClinicalTrials
Scleroderma, Localized 1 D012594 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt