DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 96301-34-7, Atamestane [inn], 1-methylandrosta-1,4-diene-3,17-dione, Sh-489, 62ga3k28b6, Atamestanum [latin]

Molecular Formula

C₂₀H₂₆O₂

Molecular Weight

298.4 g/mol

InChI Key

PEPMWUSGRKINHX-TXTPUJOMSA-N

FDA UNII

62GA3K28B6

Atamestane is a synthetic steroidal substance with antineoplastic activity. Atamestane binds irreversibly to and inhibits the enzyme aromatase, thereby blocking the conversion of cholesterol to pregnenolone and the peripheral aromatization of androgenic precursors into estrogens. (NCI04)

1 2D Structure

Atamestane

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8R,9S,10S,13S,14S)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

2.1.2 InChI

InChI=1S/C20H26O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10-11,15-17H,4-9H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1

2.1.3 InChI Key

PEPMWUSGRKINHX-TXTPUJOMSA-N

2.1.4 Canonical SMILES

CC1=CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4=O)C)C

2.1.5 Isomeric SMILES

CC1=CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)C

2.2 Other Identifiers

2.2.1 UNII

62GA3K28B6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-methyl-1,4-androstadiene-3,17-dione

2. Sh 489

3. Sh-489

4. Sh489

2.3.2 Depositor-Supplied Synonyms

1. 96301-34-7

2. Atamestane [inn]

3. 1-methylandrosta-1,4-diene-3,17-dione

4. Sh-489

5. 62ga3k28b6

6. Atamestanum [latin]

7. Atamestano [spanish]

8. Atamestano

9. Atamestanum

10. (8r,9s,10s,13s,14s)-1,10,13-trimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-3h-cyclopenta[a]phenanthrene-3,17(6h)-dione

11. Ccris 6528

12. Unii-62ga3k28b6

13. Biomed-777

14. 1-methyl-1,4-androstadiene-3,17-dione

15. Androsta-1,4-diene-3,17-dione, 1-methyl-

16. Atamestane [who-dd]

17. Schembl59128

18. Chembl2105987

19. Dtxsid30869268

20. Zinc4214890

21. Db12194

22. (8r,9s,10s,13s,14s)-1,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-dione

23. 1-methyl-androsta-1,4-diene-3,17-dione

24. 1-methyl-androsta-1,4 -diene-3,17-dione

25. Q4812727

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆O₂
Molecular Weight	298.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	298.193280068 g/mol
Monoisotopic Mass	298.193280068 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	626
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

API SUPPLIERS