Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 USDMF

2 API Suppliers
2 USDMF

INTERMEDIATES

1 Intermediates Suppliers

1 Intermediates Suppliers

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

1INTERMEDIATES

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: 182167-02-8, Em-652, Sch 57068, Sch-57068, 815lj9x0d1, Sch57068

Molecular Formula

C₂₉H₃₁NO₄

Molecular Weight

457.6 g/mol

InChI Key

DUYNJNWVGIWJRI-LJAQVGFWSA-N

FDA UNII

815LJ9X0D1

Acolbifene is under investigation in clinical trial NCT01452373 (Dehydroepiandrosterone (DHEA) + Acolbifene Against Vasomotor Symptoms (Hot Flushes) in Postmenopausal Women).

1 2D Structure

Acolbifene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

2.1.2 InChI

InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1

2.1.3 InChI Key

DUYNJNWVGIWJRI-LJAQVGFWSA-N

2.1.4 Canonical SMILES

CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O

2.1.5 Isomeric SMILES

CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O

2.2 Other Identifiers

2.2.1 UNII

815LJ9X0D1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bis(4-piperidinophenol)diimidonaphthalene-1,4,5,8-tetracarboxylic Acid Dibenzosulfoethylate

2. Bis(p-piperidinophenol)diimidonaphthalene-1,4,5,8-tetracarboxylic Acid Dibenzosulfoethylate

3. Em 652

4. Em-652

5. Iem 652

6. Ritebronii

7. Ritebronium

8. Ritetronium

9. Ritetronium Dibenzenesulfonate

10. Ritetroniy

11. Sch 57068

12. Sch57068

2.3.2 Depositor-Supplied Synonyms

1. 182167-02-8

2. Em-652

3. Sch 57068

4. Sch-57068

5. 815lj9x0d1

6. Sch57068

7. 182167-02-8 (free Base)

8. (s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2h-chromen-7-ol

9. Acolbifene [inn:ban]

10. Unii-815lj9x0d1

11. Em 652

12. Acolbifene [inn]

13. Chembl68055

14. Schembl406183

15. Dtxsid501318411

16. Bdbm50471255

17. Hy-16023a

18. (2s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2h-chromen-7-ol

19. Cs-0007143

20. Q15633957

21. (+)-(2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-2h-1-benzopyran-7-ol

22. (2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-2h-1-benzopyran-7-ol

23. (s)-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-(1-piperidinyl)ethoxy]-phenyl]-2h-1-benzopyran-7-ol

24. 2h-1-benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, (2s)-

25. 2h-1-benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, (s)-

26. 2s)-3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-piperidin-1-yl-ethoxy)phenyl)-2h-chromen-7-ol

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₁NO₄
Molecular Weight	457.6 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	457.22530847 g/mol
Monoisotopic Mass	457.22530847 g/mol
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	674
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1