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

DEVELOPMENTS

3 Drugs in Development

3 Drugs in Development

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

3DRUGS 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: Ehp-101, 1818428-24-8, Vce-004.8, Vce-004, (1'r,6'r)-3-(benzylamine)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-(1,1'-bi(cyclohexane))-2',3,6-triene-2,5-dione, 2,5-cyclohexadiene-1,4-dione, 2-hydroxy-3-((1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-6-pentyl-5-((phenylmethyl)amino)-

Molecular Formula

C₂₈H₃₅NO₃

Molecular Weight

433.6 g/mol

InChI Key

CGGGAXJIRQSRPH-JTHBVZDNSA-N

FDA UNII

KTJCIKNF3F

1 2D Structure

EHP-101

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione

2.1.2 InChI

InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23+/m0/s1

2.1.3 InChI Key

CGGGAXJIRQSRPH-JTHBVZDNSA-N

2.1.4 Canonical SMILES

CCCCCC1=C(C(=C(C(=O)C1=O)C2C=C(CCC2C(=C)C)C)O)NCC3=CC=CC=C3

2.1.5 Isomeric SMILES

CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)NCC3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

KTJCIKNF3F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ehp-101

2. 1818428-24-8

3. Vce-004.8

4. Vce-004

5. (1'r,6'r)-3-(benzylamine)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-(1,1'-bi(cyclohexane))-2',3,6-triene-2,5-dione

6. 2,5-cyclohexadiene-1,4-dione, 2-hydroxy-3-((1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-6-pentyl-5-((phenylmethyl)amino)-

7. (1'r,6'r)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-(1,1'-bi(cyclohexane))-2',3,6-triene-2,5-dione

8. (1'r,6'r)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione

9. Unii-ktjciknf3f

10. Schembl17197618

11. Bdbm482299

12. Us10919843, Compound Viii

13. Ex-a3105

14. Zb1584

15. Vce-?004.8

16. Ac-36333

17. Ehp-101 (vce- 004.8)

18. Hy-128872

19. Cs-0101637

20. 5-(benzylamino)-4-hydroxy-3-[(1r,6r)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₅NO₃
Molecular Weight	433.6 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	433.26169398 g/mol
Monoisotopic Mass	433.26169398 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	839
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