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2D Structure
Also known as: 1977495-97-8, Trilaciclib dihydrochloride, Trilaciclib 2hcl, G1t28 hydrochloride, G1t28 dihydrochloride, Trilaciclib (hydrochloride)
Molecular Formula
C24H32Cl2N8O
Molecular Weight
519.5  g/mol
InChI Key
BRCYOXKEDFAUSA-UHFFFAOYSA-N
FDA UNII
4BX07W725T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride
2.1.2 InChI
InChI=1S/C24H30N8O.2ClH/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23;;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29);2*1H
2.1.3 InChI Key
BRCYOXKEDFAUSA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
4BX07W725T
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-7',8'-dihydro-6'h-spiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one

2. Cosela

3. Spiro(cyclohexane-1,9'(6'h)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-

4. Trilaciclib

2.3.2 Depositor-Supplied Synonyms

1. 1977495-97-8

2. Trilaciclib Dihydrochloride

3. Trilaciclib 2hcl

4. G1t28 Hydrochloride

5. G1t28 Dihydrochloride

6. Trilaciclib (hydrochloride)

7. 4bx07w725t

8. Cosela

9. 2'-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-7',8'-dihydro-6'hspiro(cyclohexane-1,9'-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one Dihydrochloride

10. 4-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride

11. Spiro(cyclohexane-1,9'(6'h)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-methyl-1-piperazinyl)-2-pyridinyl)amino)-, Hydrochloride (1:2)

12. Unii-4bx07w725t

13. Chembl4650272

14. Trilaciclib Hydrochloride(g1t28)

15. Bcp25727

16. Ced49597

17. Ex-a4296

18. At27978

19. Cs-7942

20. Hy-101467a

21. Sb19784

22. G1t28 Dihydrochloride;trilaciclib 2hcl

23. G1t28 Hydrochlorideg1t28 Hydrochloride

24. Ac-36548

25. Trilaciclib Dihydrochloride [who-dd]

26. Trilaciclib Dihydrochloride [orange Book]

27. A901868

28. 12'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-2',5',11',13'-tetraazaspiro[cyclohexane-1,3'-tricyclo[7.4.0.0(2),]tridecane]-1'(9'),7',10',12'-tetraen-6'-one Dihydrochloride

29. 1374635-07-0

2.4 Create Date
2017-02-17
3 Chemical and Physical Properties
Molecular Weight 519.5 g/mol
Molecular Formula C24H32Cl2N8O
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area91.2
Heavy Atom Count35
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3