Acebrochol: Difference between revisions

Browse history interactively
Page 1
Page 2
← Previous edit
Content deleted Content added
VisualWikitext
added CSID, (Std)InChI & (Std)InChIKey
+sd
 
(18 intermediate revisions by 11 users not shown)
Line 1: Line 1:
{{short description|Chemical compound}}
{{Drugbox
{{Drugbox
| Verifiedfields = changed
⚫
| verifiedrevid = 437147752
| Watchedfields = changed
⚫
| verifiedrevid = 462648598
| IUPAC_name = [(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| IUPAC_name = [(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| image = Acebrochol.png
| image = Acebrochol.svg


<!--Clinical data-->
<!--Clinical data-->
| tradename =
| tradename =
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category =
| pregnancy_category =
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| legal_status =
| routes_of_administration =
| routes_of_administration =


<!--Pharmacokinetic data-->
<!--Pharmacokinetic data-->
| bioavailability =
| bioavailability =
| protein_bound =
| protein_bound =
| metabolism =
| metabolism =
| elimination_half-life =
| elimination_half-life =
| excretion =
| excretion =


<!--Identifiers-->
<!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 514-50-1
| CAS_number = 514-50-1
| ATC_prefix = none
| ATC_prefix = none
| ATC_suffix =
| ATC_suffix =
| ATC_supplemental =
| ATC_supplemental =
| PubChem = 170366
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| DrugBank =
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| ChEMBL = 2104033
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 7XZB016MY5
| UNII = 7XZB016MY5

| PubChem = 170366
| ChemSpiderID = 148963
| PubChem = 10952056
| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
⚫
| InChI = 1/C29H48Br2O2/c1-17(2)8-7-9-18(3)21-10-11-22-20-16-24(30)26-27(31)25(33-19(4)32)13-15-29(26,6)23(20)12-14-28(21,22)5/h17-18,20-27H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24-,25?,26?,27-,28-,29-/m1/s1
| ChemSpiderID = 9127276
| InChIKey = NJTAPFKGQYWFQM-WNQILTAPBM
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C29H48Br2O2/c1-17(2)8-7-9-18(3)21-10-11-22-20-16-24(30)26-27(31)25(33-19(4)32)13-15-29(26,6)23(20)12-14-28(21,22)5/h17-18,20-27H,7-16H2,1-6H3/t18-,20+,21-,22+,23+,24-,25?,26?,27-,28-,29-/m1/s1
⚫
| StdInChI = 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
⚫
| StdInChIKey = NJTAPFKGQYWFQM-WNQILTAPSA-N
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
⚫
| StdInChIKey = ISLUIHYFJMYECW-BSMCXZHXSA-N


<!--Chemical data-->
<!--Chemical data-->
| chemical_formula =
| chemical_formula =
| C=29 | H=48 | Br=2 | O=2
| C=29 | H=48 | Br=2 | O=2
⚫
| 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
| molecular_weight = 588.498 g/mol
⚫
| smiles = CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4[C@@]3(CCC([C@H]4Br)OC(=O)C)C)Br)C
}}
}}


'''Acebrochol''' ([[International Nonproprietary Name|INN]]),<ref>{{cite web|title=INN - acebrochol|url=https://mednet-communities.net/inn/db/ViewINN.aspx?i=585|website=Mednet|publisher=Whorld Health Organisation (WHO)|access-date=10 August 2015}}</ref> also known as '''cholesteryl acetate dibromide''' or '''5α,6β-dibromocholestan-3β-ol acetate''', is a [[neuroactive steroid]] which was described as a [[sedative]] and [[hypnotic]] but was never marketed.<ref name="HillMakin1991">{{cite book| vauthors = Hill RA, Makin HL, Kirk DN, Murphy GM |title=Dictionary of Steroids|url=https://books.google.com/books?id=qw5X0NK1A90C&pg=PA229|date=23 May 1991|publisher=CRC Press|isbn=978-0-412-27060-4|pages=229–}}</ref>
'''Acebrochol''' ([[International Nonproprietary Name|INN]]) is a [[steroid]] drug with [[sedative]] effects.

==Chemistry==
{{See also|List of neurosteroids}}

==See also==
* [[Allopregnanolone]]
* [[Ganaxolone]]
* [[Hydroxydione]]
* [[Progesterone]]


==References==
==References==
{{Reflist|2}}
<references/>



⚫
{{Hypnotics}}
{{GABAAR PAMs}}


[[Category:Cholestanes]]
⚫
{{Hypnotics and sedatives}}
[[Category:Hypnotics]]
[[Category:Sedatives]]
[[Category:Sedatives]]
[[Category:Steroids]]
[[Category:Neurosteroids]]
[[Category:Acetate esters]]
[[Category:Acetate esters]]
[[Category:GABAA receptor positive allosteric modulators]]




Retrieved from "https://en.wikipedia.org/wiki/Special:ComparePages"