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AM88

CAT: 0931-T29943-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29943-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3772-41-6
Target
Others
Related Pathways
Others
Bioactivity
AM88 is a biochemical.
Smiles
CCCCNc1ccc(cc1)C(=O)OCCN(C)CCSC
Molecular Formula
C17H28N2O2S
Molecular Weight
324.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AM88
CAS Number3772-41-6
PubChem CID19594
IUPAC Name2-[4-(butylamino)benzoyl]oxyethyl-methyl-(2-methylsulfanylethyl)azanium bromide
Molecular FormulaC17H29BrN2O2S
Molecular Weight405.4
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity294
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCC[NH+](C)CCSC.[Br-]
InChI
InChI=1S/C17H28N2O2S.BrH/c1-4-5-10-18-16-8-6-15(7-9-16)17(20)21-13-11-19(2)12-14-22-3;/h6-9,18H,4-5,10-14H2,1-3H3;1H
InChIKey
XWSPEHAIAHXVCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AM88
CAS: 3772-41-6
CID: 19594
Formula: C17H29BrN2O2S
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass404.11331
Monoisotopic Mass404.11331
Topological Polar Surface Area68.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779569AM88

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