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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32F2N8
Molecular Weight 518.6041
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tibremciclib

SMILES

CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C4=CC(F)=C5N=C6CCC[C@@H](C)N6C5=C4)N=C2)CC1

InChI

InChIKey=XOJPAVACYRFOBK-GOSISDBHSA-N
InChI=1S/C28H32F2N8/c1-3-36-9-11-37(12-10-36)17-19-7-8-24(31-15-19)33-28-32-16-22(30)26(35-28)20-13-21(29)27-23(14-20)38-18(2)5-4-6-25(38)34-27/h7-8,13-16,18H,3-6,9-12,17H2,1-2H3,(H,31,32,33,35)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H32F2N8
Molecular Weight 518.6041
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:12:16 GMT 2023
Edited
by admin
on Sat Dec 16 20:12:16 GMT 2023
Record UNII
CRB7BT5JDQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tibremciclib
INN  
Official Name English
tibremciclib [INN]
Common Name English
2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[(1R)-6-fluoro-1,2,3,4-tetrahydro-1-methylpyrido[1,2-a]benzimidazol-8-yl]-
Systematic Name English
N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[(1R)-6-fluoro-1,2,3,4-tetrahydro-1-methylpyrido[1,2-a]benzimidazol-8-yl]-2-pyrimidinamine
Systematic Name English
Code System Code Type Description
FDA UNII
CRB7BT5JDQ
Created by admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
PRIMARY
CAS
2397678-18-9
Created by admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
PRIMARY
PUBCHEM
146277756
Created by admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
PRIMARY
INN
12635
Created by admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY