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CAS 183322-17-0
PharmaCompass
CAS 183322-17-0
Also known as: 183322-17-0, Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate hydrochloride, 2-amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride, Ak103092, Erlotinib impurity 7, C15h24clno6
Molecular Formula
C15H24ClNO6
Molecular Weight
349.808  g/mol
InChI Key
CVAXGYHQKOQSDV-UHFFFAOYSA-N

1 2D Structure

CAS 183322-17-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride
2.1.2 InChI
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
2.1.3 InChI Key
CVAXGYHQKOQSDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 183322-17-0

2. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride

3. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hydrochloride

4. Ak103092

5. Erlotinib Impurity 7

6. C15h24clno6

7. Ctk8c0696

8. Ks-00000qbh

9. Dtxsid20743447

10. Molport-023-332-770

11. 9604aa

12. Anw-65121

13. Mfcd18206207

14. Akos016005096

15. Ds-4013

16. Ax8234631

17. Kb-252474

18. St2406883

19. Tc-153866

20. 4ch-016843

21. Ft-0689799

22. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hcl

23. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride (1:1)

24. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hcl

25. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate--hydrogen Chloride (1/1)

2.3 Create Date
2013-02-18
3 Chemical and Physical Properties
Molecular Weight 349.808 g/mol
Molecular Formula C15H24ClNO6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass349.129 g/mol
Monoisotopic Mass349.129 g/mol
Topological Polar Surface Area89.2 A^2
Heavy Atom Count23
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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