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Substance Name: trans-3'-Hydroxycotinine-O-glucuronide
RN: 132929-88-5
InChIKey: WALNNKZUGHYSCT-MGKNELHOSA-N

Molecular Formula

  • C16-H20-N2-O8

Molecular Weight

  • 368.34
 
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Names and Synonyms

Results Name

  • trans-3'-Hydroxycotinine-O-glucuronide

Synonym

  • trans-3'-Hydroxycotinine-O-glucuronide

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl, (3R-trans)-

Registry Numbers

CAS Registry Number

  • 132929-88-5

Other Registry Number

  • 1213257-66-9

System Generated Number

  • 0132929885

Structure Descriptors

InChI

1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1

InChIKey

WALNNKZUGHYSCT-MGKNELHOSA-N

Smiles

c1ccc(cn1)[C@@H]1C[C@H](C(N1C)=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(O)=O