Trofinetide

CAT: 0127-BUP01674-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01674-06Size:500 mg

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CAS Number

853400-76-7

Synonyms

NNZ-2566

Purity

=98%

Smiles

C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O

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 Number	853400-76-7
PubChem CID	11318905
IUPAC Name	(2S)-2-[[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino]pentanedioic acid
Molecular Formula	C13H21N3O6
Molecular Weight	315.32
XLogP	-3.9
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	480

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

CAS: 853400-76-7

CID: 11318905

Formula: C13H21N3O6

MW: 315.32

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	315.32
XLogP3	-3.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	315.14303540
Monoisotopic Mass	315.14303540
Topological Polar Surface Area	150 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Trofinetide

Chemical Information

Alternative Products

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