GADOBUTROL ,770691-21-9 _Chemical Cloud Database

GADOBUTROL

Basic Information
Product Name：	GADOBUTROL
CAS：	770691-21-9 ;138071-82-6
English Synonyms：	GADOBUTROL ; GADOVIST ; PROTOVIST
MDL Number.：	MFCD00867283
H bond acceptor：	13
H bond donor：	3
Smile：	C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3]
InChi：	InChI=1S/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m1./s1
InChiKey：	InChIKey=ZPDFIIGFYAHNSK-CTHHTMFSSA-K

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