DOTA SODIUM ,60239-18-1 _Chemical Cloud Database

DOTA SODIUM

Basic Information
Product Name：	DOTA SODIUM
CAS：	60239-18-1
English Synonyms：	TETRAAZA-12-CROWN-4-TETRAACETIC ACID, TRISODIUM SALT ; DOTA SODIUM ; TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 1,4,7,10-TRISODIUM SALT ; TETRAAZA-12-CROWN-4 TETRAACETIC ACID SODIUM
MDL Number.：	MFCD00068681
H bond acceptor：	12
H bond donor：	1
Smile：	C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C16H28N4O8.3Na/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;;;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);;;/q;3*+1/p-3
InChiKey：	InChIKey=FNFKMZYDWDSFIP-UHFFFAOYSA-K

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