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Raltitrexed

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Raltitrexed / CAS : 112887-68-0

Appearance yellow crystalline powder UN 3265 8/PG 2
HS 0.0 DG Class 8
Synonyms N-[5-[N-[(3,4-Dihydro-2-Methyl-4-Oxy-6-Quinazolinyl)-Methyl]-N-Methylamino]-2-Thenoyl]-L-Glutamic Acid; 2Kce; Zd1694; Tomudex; N-(5-[N-(3,4-Dihydro-2-Methyl-4-Oxoquinazolin-6-Ylmethyl)-N-Methylamino]-2-Thenoyl)-L-Glutamic Acid; 2Tsr; Ici D1694; (2S)-2-[[5-[Methyl-[(2-Methyl-4-Oxo-1H-Quinazolin-6-Yl)Methyl]Amino]Thiophene-2-Carbonyl]Amino]Pentanedioic Acid; (S)-2-[(1-{5-[Methyl-(2-Methyl-4-Oxo-3,4-Dihydro-Quinazolin-6-Ylmethyl)-Amino]-Thiophen-2-Yl}-Methanoyl)-Amino]-Pentanedioic Acid; Ici-D-1694; N-[[5-[[(1,4-Dihydro-2-Methyl-4-Oxo-6-Quinazolinyl)Methyl]Methylamino]-2-Thienyl]Carbonyl]-L-Glutamic Acid; Zd-1694; L-Glutamic Acid, N-[[5-[[(3,4-Dihydro-2-Methyl-4-Oxo-6-Quinazolinyl)Methyl]Methylamino]-2-Thienyl]Carbonyl]-; (S)-2-(5-(Methyl((2-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)Methyl)Amino)Thiophene-2-Carboxamido)Pentanedioic Acid
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Properties

Summary

Formula
C21H22N4O6S
Molecular Mass
458.48800
Exact Mass
458.12600
PSA
180.93000
Logp
2.36810
IUPAC
(2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
SMILES
CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
176-1800C
Density
1.49 g/cm3
Appearance
yellow crystalline powder

Export information

HS Code
0.0
UN No.
3265 8/PG 2
DG-Class
8
Risk Code
R36/38###36/38-25-61
Safety Label
Xi###Xi,T

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