CAS 94240-17-2

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

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 94240-17-2, Phenylephrone hydrochloride, Ethanone, 1-(3-hydroxyphenyl)-2-(methylamino)-, hydrochloride, 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride, D90vca2n0s, 1-(3-hydroxyphenyl)-2-(methylamino)ethan-1-one hydrochloride

Molecular Formula

C₉H₁₂ClNO₂

Molecular Weight

201.65 g/mol

InChI Key

DEOGEZWYKPQJLP-UHFFFAOYSA-N

FDA UNII

D90VCA2N0S

1 2D Structure

CAS 94240-17-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

2.1.2 InChI

InChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H

2.1.3 InChI Key

DEOGEZWYKPQJLP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNCC(=O)C1=CC(=CC=C1)O.Cl

2.2 Other Identifiers

2.2.1 UNII

D90VCA2N0S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 94240-17-2

2. Phenylephrone Hydrochloride

3. Ethanone, 1-(3-hydroxyphenyl)-2-(methylamino)-, Hydrochloride

4. 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

5. D90vca2n0s

6. 1-(3-hydroxyphenyl)-2-(methylamino)ethan-1-one Hydrochloride

7. 1-(3-hydroxyphenyl)-2-methylamino Ethanone Hydrochloride

8. 3-hydroxyphenyl-omega-methylaminoacetophenone Hydrochloride

9. 1-(3-hydroxyphenyl)-2-(methylamino)ethanone Hydrochloride (phenylephrone Hydrochloride)

10. Unii-d90vca2n0s

11. Phenylephrine Impurity C Hcl

12. Schembl4734485

13. Phenylephrine Related Compound C

14. Dtxsid70241221

15. Amy17785

16. Bcp27957

17. Akos024258135

18. As-19592

19. Ft-0673754

20. D87530

21. 1-(3-hydroxyphenyl)-2-(methylamino)ethanone Hcl

22. 240h172

23. A844886

24. Ethanone, 1-(3-hydroxyphenyl)-2-(methylamino)-, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂ClNO₂
Molecular Weight	201.65 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	201.0556563 g/mol
Monoisotopic Mass	201.0556563 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
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

CAS 94240-17-2 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?