Nilotinib & its intermediates

CAS 641571-10-0C28H22F3N7OMW 529.5

Nilotinib & its intermediates (CAS 641571-10-0) — formula C28H22F3N7O, molecular weight 529.5.

Product Overview

CAS Number	641571-10-0
Molecular Formula	C28H22F3N7O
Molecular Weight	529.5
LogP	4.9

Technical Profile

What this product is

Nilotinib & its intermediates is a chemical compound with CAS registry number 641571-10-0 and molecular formula C28H22F3N7O (molecular weight 529.5).

Identification

CAS number: 641571-10-0

Its molecular formula C28H22F3N7O comprises 28 C, 22 H, 3 F, 7 N, 1 O atoms.

Also known as: Nilotinib & its intermediates · 尼罗替尼及其中间体

Frequently Asked Questions

What is the CAS number of Nilotinib & its intermediates?

The CAS registry number of Nilotinib & its intermediates is 641571-10-0.

What is the molecular formula and molecular weight of Nilotinib & its intermediates?

Molecular formula C28H22F3N7O, molecular weight 529.5.

What other names is Nilotinib & its intermediates known by?

It is also registered under: Nilotinib & its intermediates, 尼罗替尼及其中间体.

PubChem Public Data

Independent reference data for Nilotinib & its intermediates (CAS 641571-10-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	641571-10-0
PubChem CID	644241
Molecular formula	C28H22F3N7O
IUPAC name	4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
UNII (FDA)	F41401512X

Computed descriptors

Molecular Weight	529.5
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	529.18379284
Monoisotopic Mass	529.18379284
Topological Polar Surface Area	97.6
Heavy Atom Count	39

Physicochemical values on record

Solubility	2.01e-03 g/L
Dissociation Constants	pKa1 = 2.1; pKa2 = 5.4

Documented uses on record

Synonyms and trade names

Nilotinib; 641571-10-0; AMN 107; AMN-107; nilotinibum; Danziten; NSC-747599; DTXSID5042663; F41401512X; CHEBI:52172; RefChem:58968; AMN 107 Base; DTXCID3022663; L01XE08; Tasigna; AMN107

GHS hazard classification

Reported hazard statements	H361 (69.2%), H372 (15.4%), H373 (76.9%), H400 (69.2%), H410 (69.2%), H413 (23.1%)

H361 (69.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

H361fd (46.2%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]

What the public record says

Nilotinib & its intermediates · CAS 641571-10-0 · C28H22F3N7O. UNII F41401512X. Solubility: 2.01e-03 g/L; Dissociation Constants: pKa1 = 2.1; pKa2 = 5.4.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.