2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)
CAS Registry Number®
451493-31-5
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CAS Name
2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)Molecular Formula
C27H28ClFN6O.2C7H8O3SCite this Page
2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=451493-31-5 (retrieved ) (CAS RN: 451493-31-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H28ClFN6O.C7H8O3S/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32);2-5H,1H3,(H,8,9,10)
InChIKey
InChIKey=YTEQVKXIDXBUOT-UHFFFAOYSA-N
SMILES
N(C=1C2=C(C=C(C#CC(C)(C)N3CCN(C)CC3)C(NC(C=C)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4.S(=O)(=O)(O)C1=CC=C(C)C=C1
Canonical SMILES
O=C(C=C)NC1=CC=2C(=NC=NC2NC3=CC=C(F)C(Cl)=C3)C=C1C#CC(N4CCN(C)CC4)(C)C.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)
- 2-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butynyl]-6-quinazolinyl]-, bis(4-methylbenzenesulfonate)
- MP 412
- AV 412
- AV 412 tosylate
Deleted or Replaced CAS Registry Numbers
1022984-77-5
