Alendronic Acid Monohydrate

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

1 API Suppliers, 1 USDMF

PRICE INFORMATION

API Reference Price, API Exports, API Imports, FDF Imports

DOSSIERs // Finished Dosage Formulations

23 Dossiers, 18 South Africa, 5 Listed Dossiers

DIGITAL CONTENT

2 News

2 News

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

101

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

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