CAS 14028-68-3

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 16 Related Intermediates

1 Suppliers
1 End Use APIs
16 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 14028-68-3, 1-carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 1-isoquinolineacetic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, ethyl ester, Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate, Oprea1_249540, Schembl3382275

Molecular Formula

C₁₅H₂₁NO₄

Molecular Weight

279.33 g/mol

InChI Key

RLUWHGCQILMZMC-UHFFFAOYSA-N

1 2D Structure

CAS 14028-68-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

2.1.2 InChI

InChI=1S/C15H21NO4/c1-4-20-15(17)9-12-11-8-14(19-3)13(18-2)7-10(11)5-6-16-12/h7-8,12,16H,4-6,9H2,1-3H3

2.1.3 InChI Key

RLUWHGCQILMZMC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 14028-68-3

2. 1-carboethoxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

3. 1-isoquinolineacetic Acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, Ethyl Ester

4. Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

5. Oprea1_249540

6. Schembl3382275

7. Dtxsid60456322

8. Act01909

9. Amy14577

10. Ethyl2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

11. Mfcd00185560

12. Akos015843398

13. Ds-11266

14. Cs-0061619

15. Ft-0649355

16. Ft-0771457

17. Ethyl (6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)acetate

18. 1-isoquinolineacetic Acid,1,2,3,4-tetrahydro-6,7-dimethoxy-,ethyl Ester

19. Ethyl [(1s)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₁NO₄
Molecular Weight	279.33 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	56.8
Heavy Atom Count	20
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1