Contact Supplier

Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

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: Unii-9v9n4k86z1, 259224-95-8, 9v9n4k86z1, Smp-797, Chembl539597, Smp-797 hydrochloride

Molecular Formula

C₃₄H₄₄ClN₅O₄

Molecular Weight

622.2 g/mol

InChI Key

FAFVVBJEQCPDIA-UHFFFAOYSA-N

FDA UNII

9V9N4K86Z1

1 2D Structure

Smp 797

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea;hydrochloride

2.1.2 InChI

InChI=1S/C34H43N5O4.ClH/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5;/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42);1H

2.1.3 InChI Key

FAFVVBJEQCPDIA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)N)C(C)C)C4=CC(=CC=C4)OCCCO.Cl

2.2 Other Identifiers

2.2.1 UNII

9V9N4K86Z1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Smp-797

2.3.2 Depositor-Supplied Synonyms

1. Unii-9v9n4k86z1

2. 259224-95-8

3. 9v9n4k86z1

4. Smp-797

5. Chembl539597

6. Smp-797 Hydrochloride

7. 1-(4-amino-2,6-diisopropylphenyl)-3-(1-butyl-4-(3-(3-hydroxypropoxy)phenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl)urea Hydrochloride

8. Smp-797 Anhydrous

9. Smp-797 Hcl

10. Schembl5953470

11. Smp 797

12. 259224-95-8 (hcl)

13. Q27273277

14. 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea;hydrochloride

15. N-[1-butyl-4-[3-[3-(hydroxy)propoxy]phenyl]-1,2-dihydro-2-oxo-1,8-naphthyridin-3-yl]-n'-(2,6-diisopropyl-4-aminophenyl)urea Hydrochloride

16. Urea, N-(4-amino-2,6-bis(1-methylethyl)phenyl)-n'-(1-butyl-1,2-dihydro-4-(3-(3-hydroxypropoxy)phenyl)-2-oxo-1,8-naphthyridin-3-yl)-, Hydrochloride (1:1)

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₄₄ClN₅O₄
Molecular Weight	622.2 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	621.3081826 g/mol
Monoisotopic Mass	621.3081826 g/mol
Topological Polar Surface Area	130 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	937
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