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

Virtual Booth

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

DEVELOPMENTS

15 Drugs in Development

15 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 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

15DRUGS 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: Ttp399, Cadisegliatin [usan], 98s8sh8unf, Nn9108, Nnc 80-3315, Ttp-00223399

Molecular Formula

C₂₁H₃₃N₃O₄S₂

Molecular Weight

455.6 g/mol

InChI Key

HPGJSAAUJGAMLV-UHFFFAOYSA-N

FDA UNII

98S8SH8UNF

1 2D Structure

Cadisegliatin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[2-[[cyclohexyl-(4-propoxycyclohexyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid

2.1.2 InChI

InChI=1S/C21H33N3O4S2/c1-2-12-28-17-10-8-16(9-11-17)24(15-6-4-3-5-7-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h13,15-17H,2-12,14H2,1H3,(H,25,26)(H,22,23,27)

2.1.3 InChI Key

HPGJSAAUJGAMLV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCOC1CCC(CC1)N(C2CCCCC2)C(=O)NC3=NC=C(S3)SCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

98S8SH8UNF

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ttp399

2.3.2 Depositor-Supplied Synonyms

1. Ttp399

2. Cadisegliatin [usan]

3. 98s8sh8unf

4. Nn9108

5. Nnc 80-3315

6. Ttp-00223399

7. 859525-02-3

8. Nnc 0080-0000-3315

9. Unii-98s8sh8unf

10. Schembl999940

11. Schembl999941

12. Schembl2648148

13. Schembl21516045

14. Ttp-399

15. Glxc-25387

16. Who 12146

17. Zinc115001082

18. Zinc149397570

19. Nn-9108

20. Hy-147254

21. Cs-0542308

22. {2-[3-cyclohexyl-3-(cis-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic Acid

23. {2-[3-cyclohexyl-3-(trans-4-propoxy-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic Acid

24. 2-((2-(3-cyclohexyl-3-((1r,4r)-4-propoxycyclohexyl)ureido)thiazol-5-yl)thio)acetic Acid

25. Acetic Acid, 2-((2-(((cyclohexyl(trans-4-propoxycyclohexyl)amino)carbonyl)amino)-5-thiazolyl)thio)-

2.4 Create Date

2011-12-26

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₃N₃O₄S₂
Molecular Weight	455.6 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	455.19124889 g/mol
Monoisotopic Mass	455.19124889 g/mol
Topological Polar Surface Area	145 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	554
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	1