THI ,95120-07-3 _Chemical Cloud Database

THI

Basic Information
Product Name：	THI
CAS：	95120-07-3 ;94944-70-4
English Synonyms：	2-ACETYL-4(5)-(L(R),2(5),3(R),4-TETRAHYDROXYBUTYL)-IMIDAZOLE ; ETHANONE, 1-[5-[(1R,2S,3R)-1,2,3,4-TETRAHYDROXYBUTYL]-1H-IMIDAZOL-2-YL]- ; 2-ACETYL-5-TETRAHYDROXYBUTYL IMIDAZOLE ; 1-[4-(1,2,3,4-TETRAHYDROXYBUTYL)-1H-IMIDAZOL-2-YL]ETHANONE ; 2-ACETYL-4-(1R,2S,3R,4-TETRAHYDROXYBUTYL)-IMIDAZOLE ; THI ; 2-ACETYL-4(5)-(1,2,3,4-TETRAHYDROXYBUTYL)IMIDAZOLE
MDL Number.：	MFCD08752516
H bond acceptor：	7
H bond donor：	5
Smile：	CC(=O)c1[nH]cc(n1)[C@H]([C@@H]([C@@H](CO)O)O)O
InChi：	InChI=1S/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
InChiKey：	InChIKey=CQSIXFHVGKMLGQ-BWZBUEFSSA-N
Property
Comments：	INHIBITOR OF SPHINGOSINE-1-PHOSPHATE LYASE (S1P LYASE) STORAGE TEMPERATURE: STORE BELOW -20 DEG C
Safety information
Symbol：	GHS07
Signal word：	Warning
Hazard statements：	H302
hazard symbol：	Xn
Risk Code：	R:22
WGK Germany：	3

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