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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF, $ API Reference Price

1 API Suppliers
1 USDMF
$ API Reference Price

FINISHED DOSAGE FORMULATIONS

99 FDF Dossiers, 76 Europe, 18 South Africa, 5 Listed Dossiers

99 FDF Dossiers
76 Europe
18 South Africa
5 Listed Dossiers

DIGITAL CONTENT

2 NEWS #PharmaBuzz

media
2 NEWS #PharmaBuzz

GLOBAL SALES INFORMATION

76 Finished Drug Prices, 3 Annual Reports

globalSalesInformation
76 Finished Drug Prices
3 Annual Reports

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 101

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)

486

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

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Also known as: 78tja4e8i9, 138624-11-0, Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monohydrate, Phosphonic acid, p,p'-(4-amino-1-hydroxybutylidene)bis-, hydrate (1:1), Unii-78tja4e8i9, Schembl167772

Molecular Formula

C₄H₁₅NO₈P₂

Molecular Weight

267.11 g/mol

InChI Key

AQAZLLYAEFBJMU-UHFFFAOYSA-N

FDA UNII

78TJA4E8I9

1 2D Structure

Alendronic Acid Monohydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydrate

2.1.2 InChI

InChI=1S/C4H13NO7P2.H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);1H2

2.1.3 InChI Key

AQAZLLYAEFBJMU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.O

2.2 Other Identifiers

2.2.1 UNII

78TJA4E8I9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 78tja4e8i9

2. 138624-11-0

3. Phosphonic Acid, (4-amino-1-hydroxybutylidene)bis-, Monohydrate

4. Phosphonic Acid, P,p'-(4-amino-1-hydroxybutylidene)bis-, Hydrate (1:1)

5. Unii-78tja4e8i9

6. Schembl167772

7. Dtxsid00160734

8. Q27266693

2.4 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₅NO₈P₂
Molecular Weight	267.11 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	267.02729043 g/mol
Monoisotopic Mass	267.02729043 g/mol
Topological Polar Surface Area	162 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

API SUPPLIERS

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USDMF

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API Reference Price

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