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Fosgonimeton

CAT: 0607-BA8881-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8881-10Size:10 mg
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CAS Number
2093305-05-4
Form
A solid
Molecular Formula
C27H45N4O8P
Molecular Weight
584.64
Shipping Conditions
Blue ice
Storage Conditions
-20°C, protect from light.

Chemical Information

Fosgonimeton

Fosgonimeton is a small molecule drug. Fosgonimeton is under investigation in clinical trial NCT05511558 (A Study of the Absorption, Metabolism, and Excretion of [14C]-Fosgonimeton (ATH-1017)). Fosgonimeton has a monoisotopic molecular weight of 584.3 Da.

CAS Number2093305-05-4
PubChem CID156596375
IUPAC Name[4-[(2S)-3-[[(2S,3S)-1-[(6-amino-6-oxohexyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-(hexanoylamino)-3-oxopropyl]phenyl] dihydrogen phosphate
Molecular FormulaC27H45N4O8P
Molecular Weight584.6
XLogP2.1
Topological Polar Surface Area197
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Heavy Atom Count40
Formal Charge0
Complexity844
SMILES
CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCCCC(=O)N
InChI
InChI=1S/C27H45N4O8P/c1-4-6-8-12-24(33)30-22(18-20-13-15-21(16-14-20)39-40(36,37)38)26(34)31-25(19(3)5-2)27(35)29-17-10-7-9-11-23(28)32/h13-16,19,22,25H,4-12,17-18H2,1-3H3,(H2,28,32)(H,29,35)(H,30,33)(H,31,34)(H2,36,37,38)/t19-,22-,25-/m0/s1
InChIKey
MBYDCPOKVKDSFD-JTJYXVOQSA-N
Chemical Structure
2D Structure
2D structure of Fosgonimeton
CAS: 2093305-05-4
CID: 156596375
Formula: C27H45N4O8P
MW: 584.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.6
XLogP32.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count20
Exact Mass584.29750140
Monoisotopic Mass584.29750140
Topological Polar Surface Area197 Ų
Heavy Atom Count40
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T39507-01Fosgonimeton
MBS5785537Fosgonimeton acetate

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