ACEBROCHOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H48Br2O2
Molecular Weight	588.498
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](Br)[C@@]4(Br)C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(C)=O)[C@H](C)CCCC(C)C

InChI

InChIKey=ISLUIHYFJMYECW-BSMCXZHXSA-N

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

HIDE SMILES / InChI

Molecular Formula	C29H48Br2O2
Molecular Weight	588.498
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.medkoo.com/products/17380 | https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA378&lpg=PA378&dq=ACEBROCHOL retrieved from The Dictionary of Drugs: Chemical Data. Chemical Data, Structures and Bibliographies. Editors: Elks, J. (Ed.) , p.378

Acebrochol is a neuroactive steroid that may act as a sedative and hypnotic, through the mechanism of altering ligand-gated ion channels and cell surface receptors.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:17 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:17 UTC 2023`
Record UNII	7XZB016MY5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACEBROCHOL

Official Name

English

acebrochol [INN]

Common Name

English

5,6-.BETA.-DIBROMO-5.ALPHA.-CHOLESTAN-3.BETA.-OL ACETATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756