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Turosteride , CAS No.137099-09-3

COA

Cas Number: 137099-09-3
Molecular Weight: 459.7
PubChem CID: 65986

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Item Number

T667937

Grouped product items
SKU	Size	Availability	Price	Qty
T667937-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
T667937-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

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Lipid metabolism (1912)

Basic Description

Synonyms	Turosteride \| Turosteride [INN] \| FCE 26073 \| LU1LTK666W \| UNII-LU1LTK666W \| 1,3-Diisopropyl-1-((4-methyl-3-oxo-4-aza-5alpha-androstan-17beta-yl)carbonyl)urea \| Turosterid \| FCE-26073 \| fce26073 \| (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-p

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Androstane steroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Androstane steroids
Intermediate Tree Nodes	Not available
Direct Parent	Androgens and derivatives
Alternative Parents	3-oxo-5-alpha-steroids 3-oxo-4-azasteroids 4-azasteroids and derivatives Quinolidines Piperidinones N-acyl ureas Delta lactams Tertiary carboxylic acid amides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Androgen-skeleton - 3-oxosteroid - Oxosteroid - 3-oxo-5-alpha-steroid - 3-oxo-4-azasteroid - Azasteroid - 4-azasteroid - Quinolidine - Delta-lactam - Ureide - N-acyl urea - Piperidinone - Piperidine - Dicarboximide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Urea - Carbonic acid derivative - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
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

Associated Targets(Human)

SRD5A2 Tclin 3-oxo-5-alpha-steroid 4-dehydrogenase 2 (1 Activities)

Discover Target: SRD5A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-propan-2-yl-N-(propan-2-ylcarbamoyl)-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
INCHI	InChI=1S/C27H45N3O3/c1-16(2)28-25(33)30(17(3)4)24(32)21-10-9-19-18-8-11-22-27(6,15-13-23(31)29(22)7)20(18)12-14-26(19,21)5/h16-22H,8-15H2,1-7H3,(H,28,33)/t18-,19-,20-,21+,22+,26-,27+/m0/s1
InChIKey	WMPQMBUXZHMEFZ-YJPJVVPASA-N
Smiles	CC(C)NC(=O)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C
Isomeric SMILES	CC(C)NC(=O)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C
PubChem CID	65986
Molecular Weight	459.7

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	459.700 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	459.346 Da
Monoisotopic Mass	459.346 Da
Topological Polar Surface Area	69.700 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	810.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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

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