NILOTINIB DIHYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22F3N7O.2ClH.2H2O
Molecular Weight	638.468
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NILOTINIB DIHYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.Cl.CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)=C2)C(F)(F)F

InChI

InChIKey=UWLYJIFMRDCBAV-UHFFFAOYSA-N

InChI=1S/C28H22F3N7O.2ClH.2H2O/c1-17-5-6-19(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;;;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);2*1H;2*1H2

HIDE SMILES / InChI

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

Molecular Formula	C28H22F3N7O
Molecular Weight	529.5158
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:19:43 UTC 2023` Edited by `admin` on `Sat Dec 16 14:19:43 UTC 2023`
Record UNII	WM15I3PF3G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NILOTINIB DIHYDROCHLORIDE DIHYDRATE

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 (1:2:2)

Systematic Name

English

Code System Code Type Description

SMS_ID

100000176608

Created by admin on Sat Dec 16 14:19:43 UTC 2023 , Edited by admin on Sat Dec 16 14:19:43 UTC 2023

PRIMARY

CAS

1277165-20-4

Created by admin on Sat Dec 16 14:19:43 UTC 2023 , Edited by admin on Sat Dec 16 14:19:43 UTC 2023

PRIMARY

PUBCHEM

50990967

Created by admin on Sat Dec 16 14:19:43 UTC 2023 , Edited by admin on Sat Dec 16 14:19:43 UTC 2023

PRIMARY

FDA UNII

WM15I3PF3G

Created by admin on Sat Dec 16 14:19:43 UTC 2023 , Edited by admin on Sat Dec 16 14:19:43 UTC 2023

PRIMARY

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