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Details

Stereochemistry ACHIRAL
Molecular Formula 2C28H22F3N7O.2ClH.3H2O
Molecular Weight 1186.0013
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NILOTINIB HYDROCHLORIDE SESQUIHYDRATE

SMILES

Cc1ccc(cc1Nc2nccc(-c3cccnc3)n2)C(=Nc4cc(cc(c4)-n5cc(C)nc5)C(F)(F)F)O.Cc1ccc(cc1Nc2nccc(-c3cccnc3)n2)C(=Nc4cc(cc(c4)-n5cc(C)nc5)C(F)(F)F)O.Cl.Cl.O.O.O

InChI

InChIKey=ZTRAUCYEBGENIK-UHFFFAOYSA-N
InChI=1S/2C28H22F3N7O.2ClH.3H2O/c2*1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;;;;;/h2*3-16H,1-2H3,(H,35,39)(H,33,36,37);2*1H;3*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H22F3N7O
Molecular Weight 529.5168
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.4609
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 Jun 25 21:23:26 UTC 2021
Edited
by admin
on Fri Jun 25 21:23:26 UTC 2021
Record UNII
FQV3UFL546
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NILOTINIB HYDROCHLORIDE SESQUIHYDRATE
Common Name English
BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)-, HYDROCHLORIDE, HYDRATE (2:2:3)
Systematic Name English
Code System Code Type Description
FDA UNII
FQV3UFL546
Created by admin on Fri Jun 25 21:23:26 UTC 2021 , Edited by admin on Fri Jun 25 21:23:26 UTC 2021
PRIMARY
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ACTIVE MOIETY