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Chloromethylketone Methotrexate
[CAS# 83160-47-8]

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CAS#: 83160-47-8
Product: Chloromethylketone Methotrexate
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Identification
Name Chloromethylketone Methotrexate
Synonyms (2S)-6-Chloro-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Oxo-Hexanoic Acid; (2S)-6-Chloro-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxohexanoic Acid; (2S)-6-Chloro-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-Hexanoic Acid
Molecular Structure CAS#: 83160-47-8, Chloromethylketone Methotrexate
Molecular Formula C21H23ClN8O4
Molecular Weight 486.92
CAS Registry Number 83160-47-8
SMILES [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC(=O)CCl
InChI 1S/C21H23ClN8O4/c1-30(10-12-9-25-18-16(26-12)17(23)28-21(24)29-18)13-4-2-11(3-5-13)19(32)27-15(20(33)34)7-6-14(31)8-22/h2-5,9,15H,6-8,10H2,1H3,(H,27,32)(H,33,34)(H4,23,24,25,28,29)/t15-/m0/s1
InChIKey WBHNGOGKCVORNA-HNNXBMFYSA-N
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