TIANEPTINE ,66981-73-5 _Chemical Cloud Database

TIANEPTINE

Basic Information
Product Name：	TIANEPTINE
CAS：	66981-73-5 ;30123-17-2
English Synonyms：	TIANEPTINE ACID ; 7-[(3-CHLORO-6,11-DIHYDRO-6-METHYLDIBENZO[C,F][1,2]THIAZEPIN-11-YL)-AMINO]HEPTANOIC ACID S,S-DIOXIDE ; TIANEPTINE (SODIUM SALT) ; COAXIL ; TIANEPTINE ; 7-[(3-CHLORO-6-METHYL-5,5-DIOXIDO-6,11-DIHYDRODIBENZO[C,F][1,2]THIAZEPIN-11-YL)AMINO]HEPTANOIC ACID
MDL Number.：	MFCD00865376
H bond acceptor：	6
H bond donor：	2
Smile：	CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCCCC(=O)O
InChi：	InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
InChiKey：	InChIKey=JICJBGPOMZQUBB-UHFFFAOYSA-N
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