INAKALANT ,335619-18-6 _Chemical Cloud Database

INAKALANT

Basic Information
Product Name：	INAKALANT
CAS：	335619-18-6
English Synonyms：	INAKALANT ; TERT-BUTYL (2-[(1R,5S)-7-[(S)-3-(4-CYANO-PHENOXY)-2-HYDROXY-PROPYL]-9-OXA-3,7-DIAZA-BICYCLO[3.3.1]NON-3-YL]-ETHYL)CARBAMIATE
MDL Number.：	MFCD09954129
H bond acceptor：	9
H bond donor：	2
Smile：	CC(C)(C)OC(=O)NCCN1C[C@@H]2CN(C[C@H](C1)O2)C[C@@H](COc3ccc(cc3)C#N)O
InChi：	InChI=1S/C23H34N4O5/c1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t18-,20-,21+/m0/s1
InChiKey：	InChIKey=JRHUUZPSMQIWBQ-SESVDKBCSA-N

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