LY-338979

CAT: 0013-GTR19202333-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19202333-02Size:50 mg

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Description

LY-338979 is a chemical impurity associated with the synthesis of pemetrexed. It is utilized as a reference standard in analytical research to monitor and control the purity of pemetrexed during pharmaceutical development and quality assurance processes.

CAS Number

193281-00-4

Field of Research

Metabolism Research

Smiles

C (CC1=CC=C (C (N[C@@H] (CCC (O) =O) C (O) =O) =O) C=C1) C2C3=C (NC2=O) NC (N) =NC3=O

Molecular Formula

C20H21N5O7

Molecular Weight

443.41

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pemetrexed 6-oxo diacid impurity

CAS Number	193281-00-4
PubChem CID	135565729
IUPAC Name	(2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Formula	C20H21N5O7
Molecular Weight	443.4
XLogP	-1.1
Topological Polar Surface Area	200
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	32
Formal Charge	0
Complexity	889

SMILES

C1=CC(=CC=C1CCC2C3=C(NC2=O)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1

InChIKey

YVRHJHKPTURIID-KIYNQFGBSA-N

Chemical Structure

2D Structure

CAS: 193281-00-4

CID: 135565729

Formula: C20H21N5O7

MW: 443.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.4
XLogP3	-1.1
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	443.14409803
Monoisotopic Mass	443.14409803
Topological Polar Surface Area	200 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	889
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19197209-01	LY 189332
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Alternative Products

Catalog	Name
BA7359-1	LY-338979
sc-489215	LY 338979
THA28100-01	(+) -LY-338979
454028-01	(-) -LY-338979
TRC-L486660-5MG	(-)-LY-338979
TRC-L486645-5MG	(+)-LY-338979
VCC34645-01	Ly-338979 dimethyl ester
164787	LY 338979 Dimethyl Ester
228143	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67)
228145-01	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67) (FITC)

LY-338979

Chemical Information

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