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ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 2 USDMF, 1 Listed Suppliers

3 API Suppliers
2 USDMF
1 Listed Suppliers

FINISHED DOSAGE FORMULATIONS

4 FDF Dossiers, 4 FDA Orange Book

4 FDF Dossiers
4 FDA Orange Book

DRUG PRODUCT COMPOSITIONS

TABLET, EXTENDED RELEASE;ORAL - EQ 100MG BASE, TABLET, EXTENDED RELEASE;ORAL - EQ 50MG BASE

drugProductComposition
TABLET, EXTENDED RELEASE;ORAL - EQ 100MG BASE
TABLET, EXTENDED RELEASE;ORAL - EQ 50MG BASE

REF. STANDARDS & IMPURITIES

1 Others

otherSolutions
1 Others

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

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Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

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Chemistry

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Also known as: O-desmethylvenlafaxine fumarate, 93414-04-1, Atx24e9m6l, (e)-but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (e)-2-butenedioate (1:1) (salt), Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2e)-2-butenedioate (1:1) (salt)

Molecular Formula

C₂₀H₂₉NO₆

Molecular Weight

379.4 g/mol

InChI Key

SQTJDJZCPOSWSC-WLHGVMLRSA-N

FDA UNII

ATX24E9M6L

1 2D Structure

Desvenlafaxine Fumarate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

2.1.2 InChI

InChI=1S/C16H25NO2.C4H4O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

2.1.3 InChI Key

SQTJDJZCPOSWSC-WLHGVMLRSA-N

2.1.4 Canonical SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=C/C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

ATX24E9M6L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. O-desmethylvenlafaxine Fumarate

2. 93414-04-1

3. Atx24e9m6l

4. (e)-but-2-enedioic Acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol

5. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (e)-2-butenedioate (1:1) (salt)

6. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2e)-2-butenedioate (1:1) (salt)

7. Unii-atx24e9m6l

8. Schembl521350

9. Schembl3400998

10. Dtxsid901027852

11. Desvenlafaxine Fumarate [usp-rs]

12. Desvenlafaxine Fumarate [who-dd]

13. Desvenlafaxine Fumarate [orange Book]

14. Desvenlafaxine Fumarate Anhydrous [mi]

15. Desvenlafaxine Fumarate [usp Monograph]

16. Q27274120

17. Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2z)-2-butenedioate (1:1)

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₉NO₆
Molecular Weight	379.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	379.19948764 g/mol
Monoisotopic Mass	379.19948764 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2