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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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Chemistry

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Also known as: Fludarene, Campel, 23915-80-2, R0o8tf63dh, Angiophtal, 4-oxo-4h-1-benzopyran-2-carboxylic acid compd. with n-ethylethanamine (1:1)

Molecular Formula

C₁₄H₁₇NO₄

Molecular Weight

263.29 g/mol

InChI Key

BTDWBTIPKMIUHM-UHFFFAOYSA-N

FDA UNII

R0O8TF63DH

1 2D Structure

Chromocarb Diethylamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethylethanamine;4-oxochromene-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H6O4.C4H11N/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8;1-3-5-4-2/h1-5H,(H,12,13);5H,3-4H2,1-2H3

2.1.3 InChI Key

BTDWBTIPKMIUHM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCNCC.C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

R0O8TF63DH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Activadone

2. Activadone Oftalmico

3. Angioftal

4. Angiophtal

5. Campel

6. Fludarene

2.3.2 Depositor-Supplied Synonyms

1. Fludarene

2. Campel

3. 23915-80-2

4. R0o8tf63dh

5. Angiophtal

6. 4-oxo-4h-1-benzopyran-2-carboxylic Acid Compd. With N-ethylethanamine (1:1)

7. 4h-1-benzopyran-2-carboxylic Acid, 4-oxo-, Compd. With N-ethylethanamine (1:1)

8. Chromocarbe Diethylamine

9. Diethylamine Chromone-carboxylate-2

10. Einecs 245-939-9

11. Unii-r0o8tf63dh

12. Campel (tn)

13. Chromocarb Diethylazan

14. 4-oxo-4h-1-benzopyran-2-carboxylic Acid, Compound With Diethylamine (1:1)

15. Schembl3909750

16. Dtxsid10178628

17. Chromocarb Diethylamine [mi]

18. 4h-1-benzopyran-2-cabroxylic, 4-oxo-, Compd. With Diethylamine (1:1)

19. Chromocarb Diethylamine [mart.]

20. Chromocarb Diethylamine [who-dd]

21. D07696

22. N,n-diethylammonium Chromone-2-carboxylate

23. Q27287618

24. Diethylamine, 4-oxo-4h-1-benzopyran-2-carboxylate

25. Ethanamine, N-ethyl-, 4-oxo-4h-1-benzopyran-2-carboxylate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇NO₄
Molecular Weight	263.29 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	263.11575802 g/mol
Monoisotopic Mass	263.11575802 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316
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