COTININE N-BETA-D-GLUCURONIDE

CAS No.
139427-57-9
CCD No.
CCD00331299
Formula
C16 H20 N2 O8
MolWeight
368.34

Basic Information

Product Name: COTININE N-BETA-D-GLUCURONIDE
CAS: 139427-57-9
English Synonyms: 1-BETA-D-GLUCOPYRANURONOSYL-3-[(2S)-1-METHYL-5-OXO-2-PYRROLIDINYL]PYRIDINIUM INNER SALT ; COTININE-N-GLUCURONIDE ; COTININE-N-B-D-GLUCURONIDE ; COTININE N-BETA-D-GLUCURONIDE ; COTININE BETA-D-GLUCURONIDE
MDL Number.: MFCD02683301
H bond acceptor: 10
H bond donor: 3
Smile: CN1C[C@@H](CC1=O)c2ccc[n+](c2)O[C@H]3[C@@H]([C@H]([C@@H](C(O3)C(=O)[O-])O)O)O
InChi: InChI=1S/C16H20N2O8/c1-17-6-9(5-10(17)19)8-3-2-4-18(7-8)26-16-13(22)11(20)12(21)14(25-16)15(23)24/h2-4,7,9,11-14,16,20-22H,5-6H2,1H3/t9-,11+,12+,13-,14?,16+/m1/s1
InChiKey: InChIKey=JUAUIZHHFGGUIU-JCGRWGQRSA-N

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