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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20F3N7O2.ClH
Molecular Weight 447.843
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIMIRALISIB HYDROCHLORIDE

SMILES

Cl.NC1=CC(=C(C=N1)C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4)C(F)(F)F

InChI

InChIKey=VNBNQGZQKUMKAL-UHFFFAOYSA-N
InChI=1S/C17H20F3N7O2.ClH/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27;/h9-10H,1-8H2,(H2,21,22);1H

HIDE SMILES / InChI

Molecular Formula C17H20F3N7O2
Molecular Weight 411.3816
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:17:57 UTC 2023
Edited
by admin
on Fri Dec 15 19:17:57 UTC 2023
Record UNII
0TX74TFO41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIMIRALISIB HYDROCHLORIDE
Common Name English
2-PYRIDINAMINE, 5-(4,6-DI-4-MORPHOLINYL-1,3,5-TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
126511454
Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023
PRIMARY
CAS
1820902-72-4
Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023
PRIMARY
FDA UNII
0TX74TFO41
Created by admin on Fri Dec 15 19:17:57 UTC 2023 , Edited by admin on Fri Dec 15 19:17:57 UTC 2023
PRIMARY
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ACTIVE MOIETY