DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

INTERMEDIATES

1 Intermediates Suppliers

1 Intermediates Suppliers

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

1INTERMEDIATES

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: Brifentanil [inn], 101345-71-5, 6gdt77pqbw, N-[(3r,4s)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide, Brifentanilum, Brifentanyl

Molecular Formula

C₂₀H₂₉FN₆O₃

Molecular Weight

420.5 g/mol

InChI Key

KKMGCTVJCQYQPV-WBVHZDCISA-N

FDA UNII

6GDT77PQBW

Brifentanil (also known as A-3331) is an analog of fentanyl, a potent opioid. This drug is classified as an opioid analgesic and was developed in the early 1990s. The effects of brifentanil are very similar to those of alfentanil, with strong but short lasting analgesia and sedation, and particularly notable itching and respiratory depression.

1 2D Structure

Brifentanil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide

2.1.2 InChI

InChI=1S/C20H29FN6O3/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21/h5-8,15,17H,4,9-14H2,1-3H3/t15-,17+/m1/s1

2.1.3 InChI Key

KKMGCTVJCQYQPV-WBVHZDCISA-N

2.1.4 Canonical SMILES

CCN1C(=O)N(N=N1)CCN2CCC(C(C2)C)N(C3=CC=CC=C3F)C(=O)COC

2.1.5 Isomeric SMILES

CCN1C(=O)N(N=N1)CCN2CC[C@@H]([C@@H](C2)C)N(C3=CC=CC=C3F)C(=O)COC

2.2 Other Identifiers

2.2.1 UNII

6GDT77PQBW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(2-(4-ethyl-4,5-dihydro-5-oxo1h-tetrazolyl)ethyl)-3-methyl-4-(n-(2-fluorophenyl)methoxyacetamido)piperidine

2. A 3331

3. A-3331

4. A-3331.hcl

5. Brifentanil Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. Brifentanil [inn]

2. 101345-71-5

3. 6gdt77pqbw

4. N-[(3r,4s)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide

5. Brifentanilum

6. Brifentanyl

7. N-[(3s,4r)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-n-(2-fluorophenyl)-2-methoxyacetamide

8. Brifentanilo

9. Unii-6gdt77pqbw

10. Brifentanilum [inn-latin]

11. Brifentanilo [inn-spanish]

12. A-3331-

13. Brifentanil [who-dd]

14. Schembl488879

15. Dtxsid20143867

16. Db09172

17. Q4967117

18. (+/-)-cis-n-(1-(2-(4-ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-3-methyl-4-piperidyl)-2'-fluoro-2-methoxyacetanilide

19. Acetamide, N-((3r,4s)-1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Rel-

20. Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Cis-

21. Acetamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1h-tetrazol-1-yl)ethyl)-3-methyl-4-piperidinyl)-n-(2-fluorophenyl)-2-methoxy-, Cis-(+/-)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₉FN₆O₃
Molecular Weight	420.5 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	420.22851697 g/mol
Monoisotopic Mass	420.22851697 g/mol
Topological Polar Surface Area	81 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	636
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1