Tetrahydro 11-Deoxycorticosterone , CAS No.567-03-3, Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric modulator of GABA A receptor α5 subunit;

Grade & Purity:

Moligand™

In stock

Item Number

T346425

Grouped product items
SKU	Size	Availability	Price	Qty
T346425-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90

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Synonyms	SCHEMBL5496387 \| AKOS040756005 \| PREGNAN-20-ONE, 3,21-DIHYDROXY-, (3.ALPHA.,5.BETA.)- \| 21-Hydroxypregnanolone \| EINECS 209-301-3 \| 3alpha,21-Dihydroxy-5beta-pregnan-20-one \| CORTICOSTERONE, DEOXYTETRAHYDRO- \| 2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-
Specifications & Purity	Moligand™
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of GABA A receptor α1 subunit;Allosteric modulator of GABA A receptor α2 subunit;Allosteric modulator of GABA A receptor α3 subunit;Allosteric modulator of GABA A receptor α4 subunit;Allosteric modulator of GABA A receptor α5 subunit;

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Hydroxysteroids
Intermediate Tree Nodes	Not available
Direct Parent	21-hydroxysteroids
Alternative Parents	Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-alpha-hydroxysteroids Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Oxosteroid - Alpha-hydroxy ketone - Cyclic alcohol - Secondary alcohol - Ketone - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	2-hydroxy-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
INCHI	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,20+,21+/m1/s1
InChIKey	CYKYBWRSLLXBOW-DATPGIFZSA-N
Smiles	CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
Isomeric SMILES	C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
Molecular Weight	334.49
Reaxy-Rn	3391514
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3391514&ln=

Melt Point(°C)	150-153° C
Molecular Weight	334.500 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	334.251 Da
Monoisotopic Mass	334.251 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	517.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Basic Description