Ibrutinib Impurity 6 structure, CAS 1987905-93-0

Ibrutinib Impurity 6

CAS Number1987905-93-0

Synonyms

Molecular FormulaC47H46O3N12

Molecular Weight826.96

Purity98.00%

Density

Boiling Point

Melting Point

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1195806 Purity: 98.00%
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Quality Control of [ 1987905-93-0 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number1987905-93-0
Catalog No.2A-1195806
Chinese Name1,3-双((R)-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)丙烷-1-酮(伊鲁替尼杂质)
Molecular FormulaC47H46O3N12
Molecular Weight826.96
Purity98.00
Storage Condition2-8°C, protected from light
MDL NumberMFCD34184553
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(CCC(=O)N2CCCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)C1
InChIInChI=1S/C47H46N12O3/c48-44-40-42(31-15-19-37(20-16-31)61-35-11-3-1-4-12-35)54-58(46(40)52-29-50-44)33-9-7-24-56(27-33)26-23-39(60)57-25-8-10-34(28-57)59-47-41(45(49)51-30-53-47)43(55-59)32-17-21-38(22-18-32)62-36-13-5-2-6-14-36/h1-6,11-22,29-30,33-34H,7-10,23-28H2,(H2,48,50,52)(H2,49,51,53)/t33-,34-/m1/s1
InChI KeyYVLRPRSHPNBRSQ-KKLWWLSJSA-N
MSDSmsds/197531_1_1987905_93_0.pdf
Transport InfoProduct name: 13-bis((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one (Imatinib impurity)
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