Terguride hydrogen maleate

Synopsis, Chemistry

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Also known as: Dironyl, 37686-85-4, U5wjp6r7ah, Mysalfon, 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(z)-but-2-enedioic acid, Vufb-6638

Molecular Formula

C₂₄H₃₂N₄O₅

Molecular Weight

456.5 g/mol

InChI Key

SORAZNWVQFKAFD-IBIFCFAISA-N

FDA UNII

U5WJP6R7AH

1 2D Structure

Terguride hydrogen maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid

2.1.2 InChI

InChI=1S/C20H28N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16+,18+;/m0./s1

2.1.3 InChI Key

SORAZNWVQFKAFD-IBIFCFAISA-N

2.1.4 Canonical SMILES

CCN(CC)C(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

U5WJP6R7AH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dironyl

2. Dironyl Maleate (1:1)

3. N-(d-6-methyl-8-isoergolin-1-yl)-n',n'-diethylurea

4. Terguride

5. Transdihydrolisuride

6. Vufb 6638

2.3.2 Depositor-Supplied Synonyms

1. Dironyl

2. 37686-85-4

3. U5wjp6r7ah

4. Mysalfon

5. 3-[(6ar,9s,10ar)-7-methyl-6,6a,8,9,10,10a-hexahydro-4h-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(z)-but-2-enedioic Acid

6. Vufb-6638

7. Sh-406

8. Zk-31224

9. Unii-u5wjp6r7ah

10. Vufb6638

11. Einecs 253-625-8

12. Trans-9,10-dihydrolisuride Hydrogen Maleate

13. Schembl4930773

14. Terguride Hydrogenmaleate

15. 1-((5r,8s,10r)-6-methyl-8-ergolinyl)-3,3-diethylurea Hydrogen Maleate

16. N,n-diethyl-n'-((8-alpha)-6-methylergolin-8-yl)urea (z)-2-butenedioate

17. N,n-diethyl-n'-(d-6-methyl-10alpha-isoergolin-8-yl)urea Hydrogen Maleate

18. Terguride Hydrogen Maleate [mi]

19. Terguride Hydrogenmaleate [who-dd]

20. Q27290724

21. N,n-diethyl-n'-((8alpha)-6-methylergolin-8-yl)uronium Hydrogen Maleate (1:1)

22. N,n-diethyl-n'-(d-6-methyl-10.alpha.-isoergolin-8-yl)urea Hydrogen Maleate

23. Urea, N,n-diethyl-n'-((8-alpha)-6-methylergolin-8-yl)-, (z)-2-butenedioate (1:1)

24. Urea, N,n-diethyl-n'-((8.alpha.)-6-methylergolin-8-yl)-, (2z)-2-butenedioate (1:1)

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₂N₄O₅
Molecular Weight	456.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	456.23727013 g/mol
Monoisotopic Mass	456.23727013 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2