Acharya Chemicals

CAS 666832-71-9

Chemistry, 3 End Use API, 9 Related Intermediates

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Also known as: 666832-71-9, Uge73xpp8h, 3-methyl-n-(trifluoroacetyl)-l-valine, L-valine, 3-methyl-n-(trifluoroacetyl)-, (2s)-3,3-dimethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid, (2s)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

Molecular Formula

C₈H₁₂F₃NO₃

Molecular Weight

227.18 g/mol

InChI Key

FCTPLAZWXGEGKO-SCSAIBSYSA-N

FDA UNII

UGE73XPP8H

1 2D Structure

CAS 666832-71-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

2.1.2 InChI

InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1

2.1.3 InChI Key

FCTPLAZWXGEGKO-SCSAIBSYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(C(=O)O)NC(=O)C(F)(F)F

2.1.5 Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

UGE73XPP8H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 666832-71-9

2. Uge73xpp8h

3. 3-methyl-n-(trifluoroacetyl)-l-valine

4. L-valine, 3-methyl-n-(trifluoroacetyl)-

5. (2s)-3,3-dimethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic Acid

6. (2s)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic Acid

7. Unii-uge73xpp8h

8. Schembl6658444

9. At25689

10. Bs-47527

11. Cs-0254971

2.4 Create Date

2012-10-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂F₃NO₃
Molecular Weight	227.18 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	227.07692773 g/mol
Monoisotopic Mass	227.07692773 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	267
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

67911-21-1

End Use API

Nirmatrelvir

About the Company

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.