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Product Overview

Product Code

TRC-A575153

CAS Number

29608-49-9

Product Format

Neat

Molecular Formula

C26 H29 F2 N7 . 2[CH4O3S]

Molecular Weight

669.76

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Almitrine Bismesylate

CAS Number

29608-49-9

Molecular Formula

C26 H29 F2 N7 . 2[CH4O3S]

Molecular Weight

669.76

Accurate Mass

669.2215

SMILES

F[C](F)F.O=[C]O.O=C([C@H](CC1=CN=CN1)NC(C2NC(CC2)=O)=O)N[C@H](C(N[C@@H](CO)C(N[C@H](CC3=CC=C(O)C=C3)C(N[C@@H](CC(C)C)C(NC(C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])[2H])([2H])C(NC(CCCNC(N)=N)C(N4CCC[C@@H]4C(NCC)=O)=O)=O)=O)=O)=O)=O)CC5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)

IUPAC

6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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