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INO-1001 10mg

CAT: 0628-A20680-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20680-10Size:10 mg
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CAS Number
501364-82-5

Chemical Information

INO-1001 free base
CAS Number501364-82-5
PubChem CID9889396
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
Molecular FormulaC23H25N3O4S
Molecular Weight439.5
XLogP1.5
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity815
SMILES
C1COCCN1CCCNS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C5=CC=CC=C5C(=O)N4
InChI
InChI=1S/C23H25N3O4S/c27-23-20-5-2-1-4-19(20)21-15-16-14-17(6-7-18(16)22(21)25-23)31(28,29)24-8-3-9-26-10-12-30-13-11-26/h1-2,4-7,14,24H,3,8-13,15H2,(H,25,27)
InChIKey
LTZVLHHIAUKGBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of INO-1001 free base
CAS: 501364-82-5
CID: 9889396
Formula: C23H25N3O4S
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass439.15657746
Monoisotopic Mass439.15657746
Topological Polar Surface Area96.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20680-100INO-1001 100mg
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Alternative Products

CatalogName
B8462-50INO-1001
GTR19210737-01INO-1001 methanesulfonate
HY-15045AINO-1001 (mesylate)
BLG-I006Ino
C53MR1034-50Inositol, INO
GTR19208404-01AT-1001
C8500-25AT 1001

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