Pmc Isochem

917389-21-0

Chemistry, 2 End Use API, 9 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 917389-21-0, Methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate, Schembl8746748, Cs-m2410, Akos037650396, Cs-14745

Molecular Formula

C₁₉H₁₆F₄N₂O₄

Molecular Weight

412.3 g/mol

InChI Key

ZOBYBACEALCILX-UHFFFAOYSA-N

1 2D Structure

917389-21-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,4-dihydroquinazolin-4-yl]acetate

2.1.2 InChI

InChI=1S/C19H16F4N2O4/c1-28-15-7-6-10(19(21,22)23)8-14(15)25-13(9-16(26)29-2)11-4-3-5-12(20)17(11)24-18(25)27/h3-8,13H,9H2,1-2H3,(H,24,27)

2.1.3 InChI Key

ZOBYBACEALCILX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)NC2=O)CC(=O)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 917389-21-0

2. Methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

3. Schembl8746748

4. Cs-m2410

5. Akos037650396

6. Cs-14745

7. C12718

8. 4-quinazolineacetic Acid,8-fluoro-1,2,3,4-tetrahydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-,methyl Ester

9. Methyl {8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl}acetate

10. Methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,4-dihydroquinazolin-4-yl]acetate

11. Methyl{8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl}acetate

12. Methyl2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

2.3 Create Date

2007-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₆F₄N₂O₄
Molecular Weight	412.3 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	412.10461964 g/mol
Monoisotopic Mass	412.10461964 g/mol
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	618
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

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2-Methoxy-5-(trifluoromethyl)phenyl isocyanate

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CAS Number

16588-75-3

End Use API

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.