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Also known as: 1817769-42-8, Mxd6kmg2zp, Refchem:1099421, Tegomil fumurate, Fumurate de tegomil, Fumurato de tegomil

Molecular Formula

C₁₈H₂₆O₁₁

Molecular Weight

418.4 g/mol

InChI Key

XBRIIHOHDRTZMQ-GGWOSOGESA-N

FDA UNII

MXD6KMG2ZP

1 2D Structure

Tegomil fumarate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-O-[2-[2-[2-[2-[(E)-4-methoxy-4-oxobut-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl] 1-O-methyl (E)-but-2-enedioate

2.1.2 InChI

InChI=1S/C18H26O11/c1-23-15(19)3-5-17(21)28-13-11-26-9-7-25-8-10-27-12-14-29-18(22)6-4-16(20)24-2/h3-6H,7-14H2,1-2H3/b5-3+,6-4+

2.1.3 InChI Key

XBRIIHOHDRTZMQ-GGWOSOGESA-N

2.2 Other Identifiers

2.2.1 UNII

MXD6KMG2ZP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1817769-42-8

2. Mxd6kmg2zp

3. Refchem:1099421

4. Tegomil Fumurate

5. Fumurate De Tegomil

6. Fumurato De Tegomil

7. Tegomil Fumarate [inn]

8. Orb1943741

9. Chembl5314544

10. Schembl17187305

11. Da-68022

12. Hy-156645

13. Cs-0887138

14. 1,21-dimethyl (2e,19e)-4,18-dioxo-5,8,11,14,17-pentaoxaheneicosa-2,19-dienedioate

15. 5,8,11,14,17-pentaoxaheneicosa-2,19-dienedioic Acid, 4,18-dioxo-, 1,21-dimethyl Ester, (2e,19e)-

2.4 Create Date

2015-11-09

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₆O₁₁
Molecular Weight	418.4 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	20
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	133
Heavy Atom Count	29
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 ATC Code

L - Antineoplastic and immunomodulating agents

L04 - Immunosuppressants

L04A - Immunosuppressants

L04AX - Other immunosuppressants

L04AX10 - Tegomil fumarate

ATCvet Code

QL - Antineoplastic and immunomodulating agents

QL04 - Immunosuppressants

QL04A - Immunosuppressants

QL04AX - Other immunosuppressants

QL04AX10 - Tegomil fumarate

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