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Substance Name: 2'-Hydroxymethylmethaqualone glucuronide
RN: 53551-53-4
InChIKey: WBHLKSPUFNHOSS-KSSXRGRSSA-N

Note

  • Metabolite of methaqualone found in urine.

Molecular Formula

  • C22-H22-N2-O8

Molecular Weight

  • 442.422
 
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Names and Synonyms

Name of Substance

  • 2'-Hydroxymethylmethaqualone glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (2-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)methyl

Registry Numbers

CAS Registry Number

  • 53551-53-4

System Generated Number

  • 0053551534

Structure Descriptors

InChI

1S/C22H22N2O8/c1-11-23-14-8-4-3-7-13(14)20(28)24(11)15-9-5-2-6-12(15)10-31-22-18(27)16(25)17(26)19(32-22)21(29)30/h2-9,16-19,22,25-27H,10H2,1H3,(H,29,30)/t16-,17-,18+,19-,22+/m0/s1

InChIKey

WBHLKSPUFNHOSS-KSSXRGRSSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)Cc1c(cccc1)n1c(nc2ccccc2c1=O)C