Mioflazine hydrochloride

CAT: 0931-T68685-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T68685-01Size:25 mg

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

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CAS Number

79467-24-6

Target

Calcium Channel, Others

Related Pathways

Others, Membrane transporter/Ion channel, Metabolism

Bioactivity

Mioflazine hydrochloride is a nucleoside transport inhibitor that acts on adenosine to improve sleep.

Smiles

O.Cl.NC(=O)C1CN(CC(=O)Nc2c(Cl)cccc2Cl)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

Molecular Formula

C29H34Cl4F2N4O3

Molecular Weight

666.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mioflazine Hydrochloride

See also: Mioflazine (has active moiety).

CAS Number	79467-24-6
PubChem CID	21896660
IUPAC Name	1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide;hydrate;dihydrochloride
Molecular Formula	C29H34Cl4F2N4O3
Molecular Weight	666.4
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	42
Formal Charge	0
Complexity	763

SMILES

C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.Cl.Cl

InChI

InChI=1S/C29H30Cl2F2N4O2.2ClH.H2O/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;;;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);2*1H;1H2

InChIKey

CAEGSEJNBXUDOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79467-24-6

CID: 21896660

Formula: C29H34Cl4F2N4O3

MW: 666.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	666.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	666.132358
Monoisotopic Mass	664.135308
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	763
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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Alternative Products

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MBS5811245	Mioflazine hydrochloride
GTR19211361-01	Mioflazine hydrochloride anhydrous
HY-U00049B	Mioflazine di (hydrochloride)
HY-U00049A	Mioflazine (di (hydrochloride) hydrate)
GTR19203555-01	Mioflazine
D3190-91G	Deoxynojirimycin Hydrochloride (DNJ Hydrochloride)
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OR1043462-01	Hydrochloride
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Mioflazine hydrochloride

Chemical Information

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