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

Virtual Booth

Contact Supplier

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

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

10 Drugs in Development

10 Drugs in Development

DIGITAL CONTENT

9 NEWS #PharmaBuzz

media
9 NEWS #PharmaBuzz

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

10DRUGS 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: 1613267-49-4, Vnrx-5133, Vnrx5133, Taniborbactam [inn], Taniborbactam [usan], Taniborbactam free base

Molecular Formula

C₁₉H₂₈BN₃O₅

Molecular Weight

389.3 g/mol

InChI Key

PFZUWUXKQPRWAL-PXCJXSSVSA-N

FDA UNII

8IGQ156Z07

1 2D Structure

Taniborbactam

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid

2.1.2 InChI

InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12?,14?,16-/m0/s1

2.1.3 InChI Key

PFZUWUXKQPRWAL-PXCJXSSVSA-N

2.1.4 Canonical SMILES

B1(C(CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O

2.1.5 Isomeric SMILES

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O

2.2 Other Identifiers

2.2.1 UNII

8IGQ156Z07

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (3r)-3-(((trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-2-hydroxy-3,4-dihydro-2h-1,2-benzoxaborinine-8-carboxylic Acid

2. 2h-1,2-benzoxaborin-8-carboxylic Acid, 3-((2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-3,4-dihydro-2-hydroxy-, (3r)-

3. Vnrx-5133

2.3.2 Depositor-Supplied Synonyms

1. 1613267-49-4

2. Vnrx-5133

3. Vnrx5133

4. Taniborbactam [inn]

5. Taniborbactam [usan]

6. Taniborbactam Free Base

7. 8igq156z07

8. (3r)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic Acid

9. 2h-1,2-benzoxaborin-8-carboxylic Acid, 3-((2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-3,4-dihydro-2-hydroxy-, (3r)-

10. (3~{r})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic Acid

11. Taniborbactam (usan/inn)

12. Unii-8igq156z07

13. Chembl4463697

14. Chembl4584705

15. Chembl4594290

16. Schembl15778142

17. Schembl15778144

18. Schembl15779391

19. Gtpl10774

20. Ex-a5157

21. Who 10817

22. Hy-109124

23. Cs-0078360

24. D11718

25. (3r)-3-(((trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-2-hydroxy-3,4-dihydro-2h-1,2-benzoxaborinine-8-carboxylic Acid

26. (3r)-3-((2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-3,4-dihydro-2-hydroxy-2h-1,2-benzoxaborin-8-carboxylic Acid

27. (r)-3-(2-((1s,4r)-rel-4-((2-aminoethyl)amino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2h-benzo[e][1,2]oxaborinine-8-carboxylic Acid

28. (r)-3-(2-((1s,4r)-rel-4-((2-aminoethyl)amino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2h-benzo[e][1,2]oxaborinine-8-carboxylicacid

29. (r)-3-(2-(trans-4-(2-aminoethylamino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2h-benzo[e][1,2]oxaborinine-8-carboxylic Acid

2.4 Create Date

2014-08-18

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₈BN₃O₅
Molecular Weight	389.3 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	389.2122012 g/mol
Monoisotopic Mass	389.2122012 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	544
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