Products for Research Use Only
RegisterLogin

Calcipotriol monohydrate 25mg

CAT: 0628-A11342-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A11342-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
147657-22-5

Chemical Information

Calcipotriene hydrate

Calcipotriol hydrate is a hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as an antipsoriatic. It contains a calcipotriol.

CAS Number147657-22-5
PubChem CID49800068
IUPAC Nametrans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
Molecular FormulaC27H42O4
Molecular Weight430.6
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity743
SMILES
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C.O
InChI
InChI=1S/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
InChIKey
XBKHACNRWFKJNC-MANNPBRJSA-N
Chemical Structure
2D Structure
2D structure of Calcipotriene hydrate
CAS: 147657-22-5
CID: 49800068
Formula: C27H42O4
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass430.30830982
Monoisotopic Mass430.30830982
Topological Polar Surface Area61.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
A11346-25Calcipotriol 25mg
A11342-50Calcipotriol monohydrate 50mg
A11342-5Calcipotriol monohydrate 5mg
A11342-100Calcipotriol monohydrate 100mg
A11342-10Calcipotriol monohydrate 10mg
A17813-25Doxycycline monohydrate 25mg
A17949-25Cephradine monohydrate 25mg
A13520-25Isatoribine monohydrate 25mg
A15218-25Regorafenib monohydrate 25mg
A15032-25Calcifediol monohydrate 25mg

Alternative Products

CatalogName
TQ0244-01Calcipotriol monohydrate
HY-10001A-01Calcipotriol (monohydrate)
AR-C01091-01Calcipotriol (Calcipotriene) Monohydrate
HY-10001AR-01Calcipotriol (monohydrate) (Standard)
BC300055Calcipotriol monohydrate - Bio-X TM
A3271-50Calcipotriol

Popular Products