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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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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

Trilaciclib Dihydrochloride

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 Formula	C₂₄H₃₂Cl₂N₈O
Molecular Weight	519.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	91.2
Heavy Atom Count	35
Formal Charge	0
Complexity	707
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	3