Cyproheptadine glucuronide

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid

Also Known As: Cyproheptadine glucuronide|4-(5h-dibenzo[a,d][7]annulen-5-ylidene)-1-(|A-d-glucopyranuronosyl)-1-methylpiperidinium|Piperidinium, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-beta-D-glucopyranuronosyl-1-methyl-|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid|4-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-1-hexopyranuronosyl-1-methylpiperidin-1-ium|4-(5H-Dibenzo[a,d][7]annulen-5-ylidene)-1-beta-D-glucopyranuronosyl-1-methylpiperidin-1-ium

Molecular Formula	C27H30NO6+
Molecular Weight	464.2073 g/mol
LogP	2.4
Topological Polar Surface Area	107.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	464.2073
Monoisotopic Mass	464.2073
Heavy Atoms	34
Complexity	801.0

Chemical Identifiers

CAS Number	7402-55-3
SMILES	C[N+]1(CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChIKey	CQLKKFODLDAYGC-HEXNFIEUSA-O