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Trofinetide

CAT: 1596-AR-T03838-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-T03838-05Size:150
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CAS Number
853400-76-7
Synonyms
((S) -1-Glycyl-2-methylpyrrolidine-2-carbonyl) -L-glutamic acid
Molecular Formula
C13H21N3O6
Molecular Weight
315.3
API Name
Trofinetide

Chemical Information

Trofinetide

Trofinetide is a tripeptide comprising of glycine, 2-methyl-L-proline, and L-glutamic acid joined in sequence by peptide linkages. It is the first and only treatment approved by the FDA specifically indicated for Rett syndrome in adults and pediatric patients two years of age and older. It has a role as a neuroprotective agent and an anti-inflammatory agent. It is a secondary carboxamide, a tertiary carboxamide, a dicarboxylic acid, a pyrrolidinecarboxamide, a tripeptide and a primary amino compound. It is functionally related to a glycine and a L-glutamic acid.

CAS Number853400-76-7
PubChem CID11318905
IUPAC Name(2S)-2-[[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino]pentanedioic acid
Molecular FormulaC13H21N3O6
Molecular Weight315.32
XLogP-3.9
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity480
SMILES
C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C13H21N3O6/c1-13(5-2-6-16(13)9(17)7-14)12(22)15-8(11(20)21)3-4-10(18)19/h8H,2-7,14H2,1H3,(H,15,22)(H,18,19)(H,20,21)/t8-,13-/m0/s1
InChIKey
BUSXWGRAOZQTEY-SDBXPKJASA-N
Chemical Structure
2D Structure
2D structure of Trofinetide
CAS: 853400-76-7
CID: 11318905
Formula: C13H21N3O6
MW: 315.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.32
XLogP3-3.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass315.14303540
Monoisotopic Mass315.14303540
Topological Polar Surface Area150 Ų
Heavy Atom Count22
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T17171-01Trofinetide
CS-O-59127Trofinetide-d6
TRC-T892525-0.5MGTrofinetide (>90%)
A16972-25Trofinetide 25mg
A16972-10Trofinetide 10mg
CS-O-59761Dipropyl Trofinetide
CS-O-58682Diisopropyl Trofinetide
CS-O-58681Diethyl Trofinetide
CS-O-59128Trofinetide-d9
CS-O-59126Trofinetide-d5

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