Sunitinib malate, CAS No. 341031-54-7

Sunitinib malate CAS No.341031-54-7 / Cat No.EBD33282

Formula: C26H33FN4O7

Molecular Weight:532.56

Synonyms:

SUNITINIB MALEATE

1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)- (5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4- dimethyl-, (2S)-hydroxybutanedioate (1:1)

Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2- (diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H- indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide (1:1)

N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (2S)-hydroxybutanedioate

(2S)-2-hydroxybutanedioic acid - N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1)

2-hydroxypentanedioic acid - N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (1:1)

N-(2-(Diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (2S)-hydroxybutanedioate

Sunitinib

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Properties
Safety Information
NMR Spectrum

Properties

Boiling point:

572.1 °C at 760 mmHg
Flashing point:

299.8 °C
Storage temperature:

room temp

Safety Information

Symbol:
Signal words:

Danger
Hazard statements:

H360 May damage fertility or the unborn child.

H372 Causes damage to organs through prolonged or repeated exposure.
Precautionary statements:

P201 Obtain special instructions before use.

P308+P313 IF exposed or concerned: Get medical advice/attention.

NMR Spectrum

Prediction： 13C-NMR (DMSO-d6) ppm: 9.69 (2C, 2 x -CH2-CH3, DEPT), 10.68 13.46 (2C, 2 x pyrrole -CH3, DEPT), 35.01 (1C, -NH-CH2-, DEPT), 40.89 (1C, -CHOH-), 46.81 (2C, 2 x -CH2-CH3, DEPT), 50.57 (1C, Et2N-CH2-, DEPT), 66.40 (1C, -CH2-COOH, DEPT), 106.06 (1C, d, JCF=25.7Hz, Ar-C meta position, DEPT), 110.08 (1C, d, JCF=8.1Hz, Ar-C ortho position, DEPT), 112.60 (1C, d, JCF-24.9Hz, At-C ottho position, DEPT), 115.04 (1C, bridgehead C adjacent to >NH), 119.90 125.90 134.50 136.96 (4C, pyrrole), 124.91 (1C, =CH-, DEPT), 127.10 (1C, d, JCF-9.7Hz, bridgehead C adjacent to >C=), 130.30 (1C, >C=CH-), 158.36 (1C, d, JCF=234.4Hz, -CF=), 165.30 169.52 (2C, 2 s -NH- CO-), 172.21 176.06 (2C, 2 x -COOH).

¹H NMR

¹³C NMR