Acebrochol

CAT: 0013-GTR19200621-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19200621-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Acebrochol is a synthetic neurosteroid with sedative and hypnotic properties, primarily mediated through modulation of ligand-gated ion channels. It serves as a research tool for investigating GABAergic neurotransmission in both in vitro receptor studies and in vivo models of sleep and anxiety disorders.

CAS Number

514-50-1

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

588.50

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Cholesteryl acetate dibromide

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

CAS Number	514-50-1
PubChem CID	10952056
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 Formula	C29H48Br2O2
Molecular Weight	588.5
XLogP	10.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	724

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

CAS: 514-50-1

CID: 10952056

Formula: C29H48Br2O2

MW: 588.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	588.5
XLogP3	10.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	588.20006
Monoisotopic Mass	586.20211
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	724
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T23604-01	Acebrochol

Acebrochol

Chemical Information

Alternative Products

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