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155405-80-4

155405-80-4 Structure

155405-80-4 Structure
IdentificationBack Directory
[Name]

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester
[CAS]

155405-80-4
[Synonyms]

X6
PMD
155405-80-4
Pemedolac intermediate
Pemetrexed Impurity 13
PeMetrexed disodiuM INT-3
PeMetrexed Acid Methyl Ester
4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrroL
Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)
4-[2-(2-AMino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoic a
Methyl 4-(2-(2-aMino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl)benzoate
Methyl 4-[2-(2-AMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoate
methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate
4-[2-(2-AMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl] Ethyl benzoate
Methyl4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate>
2-Amino-4,7-dihydro-5-[2-[4-(methoxycarbonyl)phenyl]ethyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pymol[2,3-d]pyrimodin-5-yl)ethyl]benzoic acid methyl ester
4-[2-(2-AMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]benzoic Acid Methyl Ester
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic Acid Methyl Ester
4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl] benzoic acid methyl ester
Benzoic acid,4-[2-(2-aMino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyriMidin-5-yl)ethyl]-,Methyl ester
Methyl 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
4-[2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)ETHYL]BENZOIC ACID METHYL ESTER CAS 155405-80-4
[EINECS(EC#)]

1806241-263-5
[Molecular Formula]

C16H16N4O3
[MDL Number]

MFCD17976681
[MOL File]

155405-80-4.mol
[Molecular Weight]

312.32
Chemical PropertiesBack Directory
[Melting point ]

>220 °C
[density ]

1.44
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Very Slightly, Heated)
[form ]

Solid
[pka]

11.21±0.20(Predicted)
[color ]

Off-White to Pale Beige
[InChI]

InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
[InChIKey]

GDEKSBCRJKAARB-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933.99.8290
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Pale Pink Solid
[Uses]

An intermediate in the preparation of Pemetrexed Disodium (P219500) and its derivatives as anticancer agents.
Spectrum DetailBack Directory
[Spectrum Detail]

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester(155405-80-4)1HNMR
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