Calcipotriene | CAS No. 112828-00-9

Calcipotriene

Basic Information

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CAS Number

112828-00-9

Molecular Formula

C27H40O3

Molecular Weight

412.6 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

InChI

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

LWQQLNNNIPYSNX-UROSTWAQSA-N

LogP

5.090600000000007

Topological Polar Surface Area

60.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

743

Synonyms & References

English

EX-A4430
STF-115469
Epitope ID:114242
9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E,24S)-
HMS3413D04
HMS3713K08
1s19
D01125
9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol, 24-cyclopropyl-, (1alpha,3beta,5Z,7E,22E)-
CALCIPOTRIENE [USP-RS]
(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol hydrate
CALCIPOTRIOL (MART.)
Divonex
HMS2089J08
9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL, 24-CYCLOPROPYL-, (1.ALPHA.,3.BETA.,5Z,7E,22E,24S)-
CALCIPOTRIOL [JAN]
(5Z,7E,22E)-(1S,3R,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
NCGC00167465-01
Calcipotriene [USAN]
CALCIPOTRIENE [ORANGE BOOK]
(1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol
AB00698343-05
DB02300
Calcipotriene (USP)
CHEBI:50749
calcipotriolum
Calcipotriol
Calciptriol
143NQ3779B
DTXCID8026648
HMS2051N11

MDL Number

MFCD00866630

FAQ

What is Calcipotriene (CAS: 112828-00-9)?

Calcipotriene is a synthetic vitamin D3 derivative used in the treatment of psoriasis. It is a white to off-white crystalline powder with a molecular formula of C28H44O3.

What are the main uses of Calcipotriene (CAS: 112828-00-9)?

Calcipotriene is primarily used in the treatment of psoriasis, particularly plaque psoriasis. It is applied topically to the skin to reduce scaling, redness, and itching associated with the condition.

Is Calcipotriene (CAS: 112828-00-9) safe?

Calcipotriene is generally considered safe when used as directed. However, it can cause skin irritation, and individuals with severe kidney disease should use it with caution. Consult a healthcare provider for proper use and monitoring.

How should Calcipotriene (CAS: 112828-00-9) be stored?

Calcipotriene should be stored in a cool, dry place away from direct sunlight and moisture. Keep the container tightly closed to prevent degradation. Store at temperatures not exceeding 25°C (77°F).