AV-101

CAT: 0127-BUP03344-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03344-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

153152-32-0

Synonyms

L-4-Cl-KYN, L-4-chlorokynurenine, 4-Cl-KYN, 4ClKYN, 4-Chlorokynurenine, (S) -4-Chlorokynurenine

Purity

=95%

Smiles

C(C[C@@H](C(O)=O)N)(=O)C1=C(N)C=C(Cl)C=C1

Chemical Information

Av-101

AV-101 has been used in trials studying the treatment of Neuropathic Pain.

CAS Number	153152-32-0
PubChem CID	9859632
IUPAC Name	(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
Molecular Formula	C10H11ClN2O3
Molecular Weight	242.66
XLogP	-1.6
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	285

SMILES

C1=CC(=C(C=C1Cl)N)C(=O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1

InChIKey

HQLHZNDJQSRKDT-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 153152-32-0

CID: 9859632

Formula: C10H11ClN2O3

MW: 242.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.66
XLogP3	-1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	242.0458199
Monoisotopic Mass	242.0458199
Topological Polar Surface Area	106 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes