Almitrine Bismesylate

CAT: 0572-TRC-A575153-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-A575153-10GSize:10 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

29608-49-9

Synonyms

6-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine, Dimethanesulfonate (9CI); 2,4-Bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazine, dimethanesulfonate (8CI); 1-(4,6-Bis(allylamino)-2-s-triazinyl)-4-(4,4'- difluorobenzhydryl)piperazine bis(methane sulfonate); 1-(4,6-Diallylamino-2-triazinyl)-4-(di-p-fluorobenzhydryl)piperazine bis(methanesulfonate); 1-[4,6- Bis(allylamino)-s-triazin-2-yl]-4-(di-p-fluorobenzhydryl)piperazine bis(methanesulfonate); Almitrine Bismethanesulfonate; Almitrine Dimesylate; Almitrine Dimethanesulfonate; Almitrine Mesylate; Vectarion

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

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

Molecular Formula

C28H37F2N7O6S2

Molecular Weight

669.76

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Almitrine Mesylate

Almitrine dimesylate is the dimethanesulfonate salt of almitrine. It has a role as a central nervous system stimulant. It contains an almitrine.

CAS Number	29608-49-9
PubChem CID	6918543
IUPAC Name	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
Molecular Formula	C28H37F2N7O6S2
Molecular Weight	669.8
Topological Polar Surface Area	195
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	10
Heavy Atom Count	45
Formal Charge	0
Complexity	694

SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C

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)

InChIKey

MRDBGMJEPGXQHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29608-49-9

CID: 6918543

Formula: C28H37F2N7O6S2

MW: 669.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	669.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	10
Exact Mass	669.22148060
Monoisotopic Mass	669.22148060
Topological Polar Surface Area	195 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	694
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TRC-A575160-1G	Almitrine Maleate
TRC-A575155-1G	Almitrine Monomethanesulfonate
TRC-P482425-500MG	6-(1-Piperazinylmethyl)-2-pyridinecarboxaldehyde Bistosylate Salt
TRC-P482425-250MG	6-(1-Piperazinylmethyl)-2-pyridinecarboxaldehyde Bistosylate Salt
TRC-P482425-50MG	6-(1-Piperazinylmethyl)-2-pyridinecarboxaldehyde Bistosylate Salt

Alternative Products

Catalog	Name
441223-01	Almitrine Bismesylate
MBS3842618-01	Almitrine mesylate
GTR19157450-01	Almitrine dimesylate
EBA60849	Almitrine dimesilate
A18020-200	Almitrine mesylate 200mg
A18020-50	Almitrine mesylate 50mg
A18020-100	Almitrine mesylate 100mg
A18020-10	Almitrine mesylate 10mg
A18020-5	Almitrine mesylate 5mg
A18020-25	Almitrine mesylate 25mg

Almitrine Bismesylate

Chemical Information

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