Proflazepam

CAT: 0931-T202095-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T202095-01Size:10 mg

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

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CAS Number

52829-30-8

Bioactivity

Proflazepam is a derivative of the benzodiazepine class, exhibiting anticonvulsant and muscle-relaxant properties.

Smiles

O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3F)CC(O)CO

Molecular Formula

C18H16ClFN2O3

Molecular Weight

362.78

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Proflazepam

CAS Number	52829-30-8
PubChem CID	3050433
IUPAC Name	7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Molecular Formula	C18H16ClFN2O3
Molecular Weight	362.8
XLogP	1.5
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	519

SMILES

C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(CO)O

InChI

InChI=1S/C18H16ClFN2O3/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)21-8-17(25)22(16)9-12(24)10-23/h1-7,12,23-24H,8-10H2

InChIKey

RCDQRWWSKKYAJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52829-30-8

CID: 3050433

Formula: C18H16ClFN2O3

MW: 362.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.8
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	362.0833482
Monoisotopic Mass	362.0833482
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	519
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	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19242461-01	Proflazepam