Anvitha Lifecare

CAS 314771-76-1

Chemistry, 2 End Use API, 25 Related Intermediates

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Also known as: 314771-76-1, (s)-n4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine, Afatinib metabolite m20, Q58l53u44y, 4-n-(3-chloro-4-fluorophenyl)-7-[(3s)-oxolan-3-yl]oxyquinazoline-4,6-diamine, Afatinib impurity b

Molecular Formula

C₁₈H₁₆ClFN₄O₂

Molecular Weight

374.8 g/mol

InChI Key

BIQABKFYKJRXII-NSHDSACASA-N

FDA UNII

Q58L53U44Y

1 2D Structure

CAS 314771-76-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine

2.1.2 InChI

InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1

2.1.3 InChI Key

BIQABKFYKJRXII-NSHDSACASA-N

2.1.4 Canonical SMILES

C1COCC1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

2.1.5 Isomeric SMILES

C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

2.2 Other Identifiers

2.2.1 UNII

Q58L53U44Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 314771-76-1

2. (s)-n4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine

3. Afatinib Metabolite M20

4. Q58l53u44y

5. 4-n-(3-chloro-4-fluorophenyl)-7-[(3s)-oxolan-3-yl]oxyquinazoline-4,6-diamine

6. Afatinib Impurity B

7. 4,6-quinazolinediamine, N4-(3-chloro-4-fluorophenyl)-7-(((3s)-tetrahydro-3-furanyl)oxy)-

8. N4-(3-chloro-4-fluorophenyl)-7-[[(3s)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine

9. Mfcd18642925

10. N4-(3-chloro-4-fluorophenyl)-7-(((3s)-tetrahydro-3-furanyl)oxy)-4,6-quinazolinediamine

11. Unii-q58l53u44y

12. Schembl1190515

13. Amy6966

14. Dtxsid10575638

15. 6-amino-4-[(3-chloro-4-fluorophenyl)amino]-7-[[(s)-tetrahydro-3-furanyl]oxy]quinazoline

16. Cs-m0993

17. Zinc59229307

18. Akos016000567

19. Ds-5451

20. Ac-26216

21. Q27287020

22. (s)-n-(3-chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine

23. 4-[(3-chloro-4-fluorophenyl)amino]-6-amino-7-((s)-tetrahydrofuran-3-yloxy)-quinazoline

24. N~4~-(3-chloro-4-fluorophenyl)-7-{[(3s)-oxolan-3-yl]oxy}quinazoline-4,6-diamine

2.4 Create Date

2007-02-12

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₆ClFN₄O₂
Molecular Weight	374.8 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	374.0945816 g/mol
Monoisotopic Mass	374.0945816 g/mol
Topological Polar Surface Area	82.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	477
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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R)(+)-3-hydroxy tetrahydrofuran

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CAS Number

86087-24-3

End Use API

Afatinib

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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