Products for Research Use Only
RegisterLogin

LS 822

CAT: 0931-T32897Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T32897Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
63257-31-8
Target
Others
Related Pathways
Others
Bioactivity
LS 822 is a metabolite of pirenzepine.
Smiles
O=C1NC2=CC=CN=C2N(C(=O)CN3CCNCC3)C=4C=CC=CC14
Molecular Formula
C18H19N5O2
Molecular Weight
337.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LS 822

metabolite of pirenzepine; structure given in first source

CAS Number63257-31-8
PubChem CID6454565
IUPAC Name11-[1-(3,5-dihydro-2H-pyrazin-4-yl)-1-hydroxyethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular FormulaC18H19N5O2
Molecular Weight337.4
XLogP0.8
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity542
SMILES
CC(N1CCN=CC1)(N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4)O
InChI
InChI=1S/C18H19N5O2/c1-18(25,22-11-9-19-10-12-22)23-15-7-3-2-5-13(15)17(24)21-14-6-4-8-20-16(14)23/h2-9,25H,10-12H2,1H3,(H,21,24)
InChIKey
DWNAQUCICYGYLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LS 822
CAS: 63257-31-8
CID: 6454565
Formula: C18H19N5O2
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass337.15387487
Monoisotopic Mass337.15387487
Topological Polar Surface Area81.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T89954-01LS-106
T32894LS 105790
T69348-01LS-104
T32899LS-58500
T11879-01LS-102
T76227-01LS-BF1
T27853-01LS-008
T32896LS 80707
T32895LS 34
T32898LS 82-556

Alternative Products

CatalogName
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
TBS10338-0.5MGInVivo Anti-Mouse CD161/KLRB1/NK1.1 Antibody
TBS10336-1MGInVivoMAb Anti-Human Flt3 ligand/FLT3LG Antibody
TBS10334-0.5MGInVivo Anti-Human CDH17/Cadherin-17 Monoclonal Antibody
TBS10333-1MGInVivo Anti-Phosphotyrosine Monoclonal Antibody
TBS42064-100Clostridium butyricum qPCR Detection Kit
TBI5887-25MGRo 5-3335, RUNX1 inhibitor
TBI5778-5MGSBI-797812, NAMPT activator
TBI5468-25MGPyrintegrin, ß1-integrin agonist

Popular Products