Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 CEP/COS

1 API Suppliers
1 CEP/COS

FINISHED DOSAGE FORMULATIONS

8 FDF Dossiers, 8 Europe

8 FDF Dossiers
8 Europe

DIGITAL CONTENT

1 DATA COMPILATION #PharmaFlow

media
1 DATA COMPILATION #PharmaFlow

GLOBAL SALES INFORMATION

8 Finished Drug Prices

globalSalesInformation
8 Finished Drug Prices

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: 44mhh77oic, Hydrous phenoxymethylpenicillin benzathine, Benzathine phenoxymethylpenicillin tetrahydrate, Phenoxymethylpenicilline benzathine tetrahydrate, Unii-44mhh77oic, Q27258749

Molecular Formula

C₄₈H₇₂N₆O₁₈S₂

Molecular Weight

1085.2 g/mol

InChI Key

DCRXCEXZTVLLCN-RJCPZQRPSA-N

FDA UNII

44MHH77OIC

1 2D Structure

Phenoxymethylpenicilline Benzathine Tetrahydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;octahydrate

2.1.2 InChI

InChI=1S/2C16H18N2O5S.C16H20N2.8H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;8*1H2/t2*11-,12+,14-;;;;;;;;;/m11........./s1

2.1.3 InChI Key

DCRXCEXZTVLLCN-RJCPZQRPSA-N

2.1.4 Canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.O.O.O.O.O.O.O.O

2.1.5 Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2.O.O.O.O.O.O.O.O

2.2 Other Identifiers

2.2.1 UNII

44MHH77OIC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 44mhh77oic

2. Hydrous Phenoxymethylpenicillin Benzathine

3. Benzathine Phenoxymethylpenicillin Tetrahydrate

4. Phenoxymethylpenicilline Benzathine Tetrahydrate

5. Unii-44mhh77oic

6. Q27258749

7. Benzathine Phenoxymethylpenicillin Tetrahydrate [who-dd]

8. 1,2-ethanediamine, N,n'-bis(phenylmethyl)-, Bis((2s-(2.alpha.,5.alpha.,6.beta.))-3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate), Octahydrate

9. 1,2-ethanediamine, N,n'-bis(phenylmethyl)-, Bis((2s-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate), Octahydrate

10. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2s-(2.alpha.,5.alpha.,6.beta.)), Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1), Octahydrate

11. 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 3,3-dimethyl-7-oxo-6-((phenoxyacetyl)amino)-, (2s-(2alpha,5alpha,6beta)), Compd. With N,n'-bis(phenylmethyl)-1,2-ethanediamine (2:1), Octahydrate

2.4 Create Date

2014-11-22

3 Chemical and Physical Properties

Molecular Formula	C₄₈H₇₂N₆O₁₈S₂
Molecular Weight	1085.2 g/mol
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	17
Exact Mass	1084.43445182 g/mol
Monoisotopic Mass	1084.43445182 g/mol
Topological Polar Surface Area	275 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	718
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	11