LOMETREXOL ,106400-81-1 _Chemical Cloud Database

LOMETREXOL

Basic Information
Product Name：	LOMETREXOL
CAS：	106400-81-1
English Synonyms：	LOMETREXOL
MDL Number.：	MFCD00866319
H bond acceptor：	11
H bond donor：	6
Smile：	c1cc(ccc1CC[C@@H]2Cc3c(=O)[nH]c(nc3NC2)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChi：	InChI=1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12-,15+/m1/s1
InChiKey：	InChIKey=ZUQBAQVRAURMCL-DOMZBBRYSA-N

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