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AT-121

CAT: 0013-GTR19250571-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250571-02Size:2 mg
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Description
AT-12 (also known as AT121; CAS 2099681-31-7) is a compound with a molecular weight of 462.65 Da and a purity of ≥98% (HPLC) .
CAS Number
2099681-31-7
Product Name Alternative
AT121
Purity
≥98%
Smiles
CC (C) C1CCC (CC1) N2CCC3 (CC2) C4=CC=CC=C4CN (C3=O) CCNS (=O) (=O) N
Molecular Weight
462.65
Storage Conditions
Storage Temp: -20°C
Notes
For research use only.
Other Product Names
N-[2-[1,2-dihydro-1'-[cis-4- (1-methylethyl) cyclohexyl]-3-oxospiro[isoquinoline-4 (3H),4'-piperidin]-2-yl]ethyl]-sulfamide 3-oxo-1'- (4-propan-2-ylcyclohexyl) -2-[2- (sulfamoylamino) ethyl]spiro[1H-isoquinoline-4,4'-piperidine]

Chemical Information

N-[2-[1,2-dihydro-1'-[cis-4-(1-methylethyl)cyclohexyl]-3-oxospiro[isoquinoline-4(3H),4'-piperidin]-2-yl]ethyl]-sulfamide
CAS Number2099681-31-7
PubChem CID129188444
IUPAC Name3-oxo-1'-(4-propan-2-ylcyclohexyl)-2-[2-(sulfamoylamino)ethyl]spiro[1H-isoquinoline-4,4'-piperidine]
Molecular FormulaC24H38N4O3S
Molecular Weight462.7
XLogP2.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity750
SMILES
CC(C)C1CCC(CC1)N2CCC3(CC2)C4=CC=CC=C4CN(C3=O)CCNS(=O)(=O)N
InChI
InChI=1S/C24H38N4O3S/c1-18(2)19-7-9-21(10-8-19)27-14-11-24(12-15-27)22-6-4-3-5-20(22)17-28(23(24)29)16-13-26-32(25,30)31/h3-6,18-19,21,26H,7-17H2,1-2H3,(H2,25,30,31)
InChIKey
LIZMNXKYQXVRSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[1,2-dihydro-1'-[cis-4-(1-methylethyl)cyclohexyl]-3-oxospiro[isoquinoline-4(3H),4'-piperidin]-2-yl]ethyl]-sulfamide
CAS: 2099681-31-7
CID: 129188444
Formula: C24H38N4O3S
MW: 462.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.7
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass462.26646226
Monoisotopic Mass462.26646226
Topological Polar Surface Area104 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
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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