(S)-Ibrutinib structure, CAS 936563-97-2

(S)-Ibrutinib

CAS Number936563-97-2

Synonyms(S)-Ibrutinib

Molecular FormulaC25H24O2N6

Molecular Weight440.5

Purity

Density1.3±0.1 g/cm3

Boiling Point715.0±60.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-3184851 Purity:
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Quality Control of [ 936563-97-2 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number936563-97-2
Catalog No.2A-3184851
Chinese Name(S)-1-(3-(4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-d]嘧啶-1-基)哌啶-1-基)丙-2-烯 -1-酮(伊布替尼/依鲁替尼杂质)
Synonyms(S)-Ibrutinib
Molecular FormulaC25H24O2N6
Molecular Weight440.5
Density1.3±0.1 g/cm3
Boiling Point715.0±60.0 °C at 760 mmHg
Storage Condition2-8°C, protected from light
PubChem ID49837014
MDL NumberMFCD28385226
SMILESC=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
InChIInChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
InChI KeyXYFPWWZEPKGCCK-SFHVURJKSA-N
Transport InfoProduct name: (S)-Ibrutinib
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