TIANEPTINE METABOLITE MC5 SODIUM SALT

CAS No.
115220-11-6
CCD No.
CCD02380682
Formula
C19 H20 Cl N2 O4 S . Na
MolWeight
430.886

Basic Information

Product Name: TIANEPTINE METABOLITE MC5 SODIUM SALT
CAS: 115220-11-6
English Synonyms: 7-[(3-CHLORO-6,11-DIHYDRO-6-METHYL-DIBENZO[C,F][1,2]THIAZEPIN-11-YL)AMINO]PENTANOIC ACID S,S-DIOXIDE SODIUM SALT ; PENTANOIC ACID METABOLITE ; TIANEPTINE METABOLITE MC5 SODIUM SALT ; TIANEPTINE MC5
MDL Number.: MFCD15071352
H bond acceptor: 6
H bond donor: 1
Smile: CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)NCCCCC(=O)[O-].[Na+]
InChi: InChI=1S/C19H21ClN2O4S.Na/c1-22-16-7-3-2-6-14(16)19(21-11-5-4-8-18(23)24)15-10-9-13(20)12-17(15)27(22,25)26;/h2-3,6-7,9-10,12,19,21H,4-5,8,11H2,1H3,(H,23,24);/q;+1/p-1
InChiKey: InChIKey=GBYSEZGRQUELJJ-UHFFFAOYSA-M

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