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Chemistry

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Also known as: 129009-83-2, 2-[bis[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid, Mp-1196, N78pi4c683, N,n-bis(2-((carboxymethyl)(((2-methoxyethyl)carbamoyl)methyl)amino)ethyl)glycine, 2-oxa-5,8,11,14-tetraazahexadecan-16-oic acid, 8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-

Molecular Formula

C₂₀H₃₇N₅O₁₀

Molecular Weight

507.5 g/mol

InChI Key

AXFGWXLCWCNPHP-UHFFFAOYSA-N

FDA UNII

N78PI4C683

1 2D Structure

Versetamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[bis[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid

2.1.2 InChI

InChI=1S/C20H37N5O10/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)

2.1.3 InChI Key

AXFGWXLCWCNPHP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

N78PI4C683

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 129009-83-2

2. 2-[bis[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetic Acid

3. Mp-1196

4. N78pi4c683

5. N,n-bis(2-((carboxymethyl)(((2-methoxyethyl)carbamoyl)methyl)amino)ethyl)glycine

6. 2-oxa-5,8,11,14-tetraazahexadecan-16-oic Acid, 8,11-bis(carboxymethyl)-14-(2-((2-methoxyethyl)amino)-2-oxoethyl)-6-oxo-

7. Versetamide [usan:inn]

8. Unii-n78pi4c683

9. Versetamide [ii]

10. Versetamide [inn]

11. Versetamide (usan/inn)

12. Versetamide [usan]

13. Schembl2109367

14. Chembl1615772

15. Dtxsid00156031

16. Chebi:177768

17. Zinc22447798

18. Akos015896622

19. D06292

20. Q27284665

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₇N₅O₁₀
Molecular Weight	507.5 g/mol
XLogP3	-9.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	22
Exact Mass	507.25404239 g/mol
Monoisotopic Mass	507.25404239 g/mol
Topological Polar Surface Area	198 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	631
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	1

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Versetamide

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