Clozapine N-Glucuronide

cas: 165602-86-8 — see every product listed under this CAS number, including other names

Clozapine N-Glucuronide (CAS 165602-86-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC1410
cas165602-86-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(2S,3S,6R)-6-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate (CAS 165602-86-8) is a chemical compound with the molecular formula C24H27ClN4O6 and a molecular weight of 502.9 g/mol. IUPAC name: (2S,3S,6R)-6-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate. InChIKey: SJZOZBLWKIWHFH-TWNSLQLBSA-N.

Identity
Molecular formulaC24H27ClN4O6
Molecular weight502.9 g/mol
IUPAC name(2S,3S,6R)-6-[4-(3-chloro-11H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate
InChIKeySJZOZBLWKIWHFH-TWNSLQLBSA-N
SMILESC[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[C@H]5C(C([C@@H]([C@H](O5)C(=O)[O-])O)O)O

Computed by PubChem (NCBI)

Synonyms: Clozapine N-?-D-Glucuronide
Isomers (same molecular formula)
6-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid C24H27ClN4O6

Also listed as

Clozapine N-beta-D-Glucuronide TRC CAS 165602-86-8