Products for Research Use Only
RegisterLogin

Acebrochol

CAT: 0931-T23604-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T23604-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
514-50-1
Target
Others
Related Pathways
Others
Bioactivity
Acebrochol is a neuroactive steroid. It may act as a sedative and hypnotic, by the mechanism of altering ligand-gated ion channels and cell surface receptors.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(C[C@@H](Br)[C@@]1(Br)C[C@@H](OC(C)=O)CC2)[H])[H]
Molecular Formula
C29H48Br2O2
Molecular Weight
588.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cholesteryl acetate dibromide

Acebrochol is a small molecule drug. Acebrochol has a monoisotopic molecular weight of 586.2 Da.

CAS Number514-50-1
PubChem CID10952056
IUPAC Name[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC29H48Br2O2
Molecular Weight588.5
XLogP10.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity724
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)Br)Br)C
InChI
InChI=1S/C29H48Br2O2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(31)17-21(33-20(4)32)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1
InChIKey
ISLUIHYFJMYECW-BSMCXZHXSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl acetate dibromide
CAS: 514-50-1
CID: 10952056
Formula: C29H48Br2O2
MW: 588.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.5
XLogP310.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass588.20006
Monoisotopic Mass586.20211
Topological Polar Surface Area26.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19200621-01Acebrochol

Popular Products