CAS 117977-18-1 manufacturers and suppliers on PharmaCompass

CAS 117977-18-1

Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

Virtual Booth

Contact Supplier

Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 117977-18-1, 4-(3-methoxypropoxy)-2,3-dimethylpyridine-n-oxide, 4-(3-methoxypropoxy)-2,3-dimethyl-1-oxidopyridin-1-ium, Pyridine,4-(3-methoxypropoxy)-2,3-dimethyl-, 1-oxide, Schembl3891060, Dtxsid80434162

Molecular Formula

C₁₁H₁₇NO₃

Molecular Weight

211.26 g/mol

InChI Key

NZQKWDSCDLYKDF-UHFFFAOYSA-N

1 2D Structure

CAS 117977-18-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(3-methoxypropoxy)-2,3-dimethyl-1-oxidopyridin-1-ium

2.1.2 InChI

InChI=1S/C11H17NO3/c1-9-10(2)12(13)6-5-11(9)15-8-4-7-14-3/h5-6H,4,7-8H2,1-3H3

2.1.3 InChI Key

NZQKWDSCDLYKDF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C[N+](=C1C)[O-])OCCCOC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 117977-18-1

2. 4-(3-methoxypropoxy)-2,3-dimethylpyridine-n-oxide

3. 4-(3-methoxypropoxy)-2,3-dimethyl-1-oxidopyridin-1-ium

4. Pyridine,4-(3-methoxypropoxy)-2,3-dimethyl-, 1-oxide

5. Schembl3891060

6. Dtxsid80434162

7. Mfcd06658538

8. Zinc21986059

9. Akos015852517

10. As-49814

11. Ft-0756537

12. N10928

13. 4-(3-methoxypropoxy)-2,3-dimethylpyridine1-oxide

14. 4-(3-methoxypropoxy)-2,3-dimethylpyridine N-oxide

15. Q-101516

16. 4-(3-methoxy-propoxy)-2,3-dimethyl-pyridine N-oxide

17. 4-(3-methoxypropoxy)-2,3-dimethyl-pyridine N-oxide

18. 4-(3-methoxypropoxy)-2,3-dimethylpyridineridine N-oxide

19. 4-(3-methoxypropoxy)-2,3-dimethyl-1-oxo-1lambda~5~-pyridine

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO₃
Molecular Weight	211.26 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	211.12084340 g/mol
Monoisotopic Mass	211.12084340 g/mol
Topological Polar Surface Area	43.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	177
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

Market Place

Home

Menu

Post Enquiry

Market Place

Search

CAS 117977-18-1 manufacturers and suppliers on PharmaCompass

CAS 117977-18-1

CHEMISTRY

Discover Molecule Insights

What are you looking for?