NILOTINIB HYDROCHLORIDE MONOHYDRATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22F3N7O.ClH.H2O
Molecular Weight	583.992
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NILOTINIB HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.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=YCBPQSYLYYBPDW-UHFFFAOYSA-N

InChI=1S/C28H22F3N7O.ClH.H2O/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);1H;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 `Fri Dec 15 16:36:03 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:03 UTC 2023`
Record UNII	5JHU0N1R6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NILOTINIB HYDROCHLORIDE MONOHYDRATE

Common Name

English

Nilotinib hydrochloride monohydrate [WHO-DD]

Common Name

English

NILOTINIB HYDROCHLORIDE HYDRATE

Common Name

English

TASIGNA

Brand 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 (1:1:1)

Systematic Name

English

NILOTINIB HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

NILOTINIB HYDROCHLORIDE MONOHYDRATE [EP MONOGRAPH]

Common Name

English

NILOTINIB HYDROCHLORIDE MONOHYDRATE [ORANGE BOOK]

Common Name

English

NILOTINIB HYDROCHLORIDE HYDRATE [JAN]

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/07/447

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

NCI_THESAURUS

C155700

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

EMA ASSESSMENT REPORTS

TASIGNA (AUTHORIZED: LEUKEMIA, MYELOGENOUS, CHRONIC, BCR-ABL POSITIVE)

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

Code System Code Type Description

SMS_ID

100000091420

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

FDA UNII

5JHU0N1R6K

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID00238967

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

DRUG BANK

DBSALT001325

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

EVMPD

SUB25647

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

PUBCHEM

16757572

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

CAS

923288-90-8

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

NCI_THESAURUS

C95229

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL255863

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

MERCK INDEX

m11754

Created by admin on Fri Dec 15 16:36:04 UTC 2023 , Edited by admin on Fri Dec 15 16:36:04 UTC 2023

PRIMARY

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IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


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IMPURITY -> PARENT

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IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


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IMPURITY -> PARENT


					5UTX5635HP

IMPURITY -> PARENT


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					46U771ERWK

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Amount:


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CHROMATOGRAPHIC PURITY (HPLC/UV)

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Amount:


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IMPURITY -> PARENT


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IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


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ACTIVE MOIETY

Amount: