MDL 100748

CAT: 0931-T71018-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T71018-02Size:50 mg

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

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CAS Number

130613-18-2

Target

Others

Related Pathways

Others

Bioactivity

MDL 100748 is a glycine site antagonist of NMDA receptor.

Smiles

N(CC(O)=O)C=1C2=C(N=C(C(O)=O)C1)C=C(Cl)C=C2Cl

Molecular Formula

C12H8Cl2N2O4

Molecular Weight

315.11

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Mdl 100748

glycine site antagonist of NMDA receptor; structure given in first source

CAS Number	130613-18-2
PubChem CID	131244
IUPAC Name	4-(carboxymethylamino)-5,7-dichloroquinoline-2-carboxylic acid
Molecular Formula	C12H8Cl2N2O4
Molecular Weight	315.11
XLogP	2.9
Topological Polar Surface Area	99.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	396

SMILES

C1=C(C=C(C2=C1N=C(C=C2NCC(=O)O)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H8Cl2N2O4/c13-5-1-6(14)11-7(15-4-10(17)18)3-9(12(19)20)16-8(11)2-5/h1-3H,4H2,(H,15,16)(H,17,18)(H,19,20)

InChIKey

UJAOIPMPKPYADL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130613-18-2

CID: 131244

Formula: C12H8Cl2N2O4

MW: 315.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	315.11
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	313.9861121
Monoisotopic Mass	313.9861121
Topological Polar Surface Area	99.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	396
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5813559	MDL 100748

MDL 100748

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