Calcipotriene structure, CAS 112965-21-6

Calcipotriene

CAS Number112965-21-6

SynonymsDidrogyl; Calcipotriol hydrate; 25-HYDROXYCHOLECALCIFEROL; Calcifediol; 25-HYDROXYVITAMIN D3; Calcipotriene; CALCIPOTRIENE,EP5.3; VITAMIN D3,25-HYDROXY; 25-OH vitamin D3; MFCD00866630; (1S,3R,5E,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; Psorcutan; Calcipotriol; Hidroferol; (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; CALCIDIOL; (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol

Molecular FormulaC27H40O3

Molecular Weight412.60 (anhydrous basis)

Purity≥98 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point582.0±50.0 °C at 760 mmHg

Melting Point166-168ºC

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9050726 Purity: ≥98 (HPLC)%
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Quality Control of [ 112965-21-6 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number112965-21-6
Catalog No.2A-9050726
Chinese Name卡泊三醇
SynonymsDidrogyl; Calcipotriol hydrate; 25-HYDROXYCHOLECALCIFEROL; Calcifediol; 25-HYDROXYVITAMIN D3; Calcipotriene; CALCIPOTRIENE,EP5.3; VITAMIN D3,25-HYDROXY; 25-OH vitamin D3; MFCD00866630; (1S,3R,5E,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; Psorcutan; Calcipotriol; Hidroferol; (1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol; CALCIDIOL; (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol
Molecular FormulaC27H40O3
Molecular Weight412.60 (anhydrous basis)
Purity≥98 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point582.0±50.0 °C at 760 mmHg
Melting Point166-168ºC
Appearancepowder
Storage ConditionDesiccate at -20°C
ApplicationCalcipotriol is a synthetic VitD3 analog with high affinity for vitamin D receptors.
PubChem ID329775060
MDL NumberMFCD10567086
SMILESO.C[C@H](\C=C\[C@@H](O)C1CC1)C2CCC3\C(CCC[C@]23C)=C\C=C4\C[C@@H](O)C[C@H](O)C4=C
InChI1S/C27H40O3.H2O/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;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1
InChI KeyXBKHACNRWFKJNC-MANNPBRJSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/50726_1_112965_21_6.pdf
Transport InfoProduct Name: Calcipotriol
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