DICHLOROMETHOTREXATE ,528-74-5 _Chemical Cloud Database

DICHLOROMETHOTREXATE

Basic Information
Product Name：	DICHLOROMETHOTREXATE
CAS：	528-74-5
English Synonyms：	DICHLOROMETHOTREXATE
MDL Number.：	MFCD00869289
H bond acceptor：	13
H bond donor：	5
Smile：	CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3c(cc(cc3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl
InChi：	InChI=1S/C20H20Cl2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1
InChiKey：	InChIKey=MCEHFIXEKNKSRW-LBPRGKRZSA-N

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