ondansetron 8-D-glucuronide (Q27256286)

Ondansetron 8-D-glucuronide (English)

14 October 2016

chemical formula

C₂₄H₂₇N₃O₈

1 reference

Ondansetron 8-D-glucuronide (English)

14 October 2016

canonical SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

Ondansetron 8-D-glucuronide (English)

14 October 2016

isomeric SMILES

CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

1 reference

Ondansetron 8-D-glucuronide (English)

InChI=1S/C24H27N3O8/c1-11-25-8-9-27(11)10-12-6-7-14-16(18(12)28)13-4-3-5-15(17(13)26(14)2)34-24-21(31)19(29)20(30)22(35-24)23(32)33/h3-5,8-9,12,19-22,24,29-31H,6-7,10H2,1-2H3,(H,32,33)/t12?,19-,20-,21+,22-,24+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Ondansetron 8-D-glucuronide (English)

BLTLDLYCSAWXFJ-DMBZKHIPSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Ondansetron 8-D-glucuronide (English)

14 October 2016

1 reference

UNII

33NAL20TBU

ondansetron 8-D-glucuronide (English)

14 October 2016

1 reference

9-Methyl-3-[(2-methyl-1H-imidazol-1-yl)methyl]-4-oxo-2,3,4,9-tetrahydro-1H-carbazol-8-yl beta-D-glucopyranosiduronic acid (English)

14 October 2016

2 references

Ondansetron 8-D-glucuronide (English)

matched by identifier from

14 October 2016

InChIKey

BLTLDLYCSAWXFJ-DMBZKHIPSA-N

1 reference

2 references

Global Substance Registration System

UNII

33NAL20TBU

ondansetron 8-D-glucuronide (English)